CAS RN: 22728-83-2
CAS Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H52O6
MOLECULAR WEIGHT: 568.78378
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C
Structure:
CAS RN: 561-47-7
CAS Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methyl-1-oxobut-2-enoxy]-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (4R,4aS,6aR,6aS,6bR,9S,12aR,14bR)-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-4-[(E)-2-methylbut-2-enoyl]oxy-10-oxidanylidene-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C35H52O6
MOLECULAR WEIGHT: 568.78378
SMILES: C/C=C(\C)/C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)[C@]5(C)CO)C)C)C)C(=O)O)(C)C
Structure:
CAS RN: 535-96-6
CAS Name: (E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]phenyl]-2-propen-1-one
OPENEYE Name: (E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenyl]prop-2-en-1-one
IUPAC Name: (E)-3-(3,4-dihydroxyphenyl)-1-[2,3-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-en-1-one
SYSTEMATIC NAME: (E)-3-[3,4-bis(oxidanyl)phenyl]-1-[4-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3-bis(oxidanyl)phenyl]prop-2-en-1-one
MOLECULAR FORMULA: C21H22O11
MOLECULAR WEIGHT: 450.39278
SMILES: C1=CC(=C(C=C1/C=C/C(=O)C2=C(C(=C(C=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O)O
Structure:
CAS RN: 368-19-4
CAS Name: 4-[(2E)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
OPENEYE Name: 4-[(2E)-2-[(3S,5S)-3,5-dimethyl-2-oxo-cyclohexylidene]ethyl]piperidine-2,6-dione
IUPAC Name: 4-[(2E)-2-[(3S,5S)-3,5-dimethyl-2-oxocyclohexylidene]ethyl]piperidine-2,6-dione
SYSTEMATIC NAME: 4-[(2E)-2-[(3S,5S)-3,5-dimethyl-2-oxidanylidene-cyclohexylidene]ethyl]piperidine-2,6-dione
MOLECULAR FORMULA: C15H21NO3
MOLECULAR WEIGHT: 263.33214
SMILES: C[C@H]1C[C@@H](C(=O)/C(=C/CC2CC(=O)NC(=O)C2)/C1)C
Structure:
CAS RN: 162795-98-4
CAS Name: (E)-7,11,13-trihydroxy-9,12,14-trisulfooxy-3-tetradecenoic acid [(3E,5E)-7-[2-hydroxy-3-[7-hydroxy-4-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-2'-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-o
OPENEYE Name: [(3E,5E)-7-[2-hydroxy-3-[7-hydroxy-4-[(E)-3-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylene-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-tetrahydrofuran]-2'-yl]-1-methyl-allyl]-2-methyl-5,11-dioxaspiro[5.5
IUPAC Name: [(3E,5E)-7-[2-hydroxy-3-[7-hydroxy-4-[(E)-4-[4-hydroxy-2-[1-hydroxy-3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)butyl]-3-methylidenespiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-2-methyl-5,11-dioxaspiro[5.5]undec-1-
SYSTEMATIC NAME: [(3E,5E)-6-methyl-7-[2-methyl-3-[2-methyl-4-[(E)-4-[2-[3-(9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl)-1-oxidanyl-butyl]-3-methylidene-4-oxidanyl-spiro[4a,7,8,8a-tetrahydro-4H-pyrano[3,2-b]pyran-6,5'-oxolane]-2'-yl]but-3-en-2-yl]-7-oxidanyl-5,11-dioxaspiro
MOLECULAR FORMULA: C66H104O30S3
MOLECULAR WEIGHT: 1473.70896
SMILES: CC1CCC2(CCCCO2)OC1C(C)CC(C3C(=C)C(C4C(O3)CCC5(O4)CCC(O5)/C=C/C(C)C6CC(=CC7(O6)C(CCC(O7)CC(C)(C(=O)OC/C(=C/C=C/CCOC(=O)C/C=C/CCC(CC(CC(C(C(COS(=O)(=O)O)O)OS(=O)(=O)O)O)OS(=O)(=O)O)O)/C)O)O)C)O)O
Structure:
CAS RN: 155660-92-7
CAS Name: (6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[4-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propylamino]-3-methyl-4-oxobutyl]-4-methyldodeca-6,10-dienamide
OPENEYE Name: (6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[4-[(E)-6-hydroxy-3,5-dimethyl-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propylamino]-3-methyl-4-oxo-butyl]-4-methyl-dodeca-6,10-dienamide
IUPAC Name: (6E,10E)-3,9-dihydroxy-N-[2-hydroxy-4-[3-[4-[(E)-6-hydroxy-3,5-dimethylhept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propylamino]-3-methyl-4-oxobutyl]-4-methyldodeca-6,10-dienamide
SYSTEMATIC NAME: (6E,10E)-N-[4-[3-[4-[(E)-3,5-dimethyl-6-oxidanyl-hept-4-enyl]-9-methyl-5,11-dioxaspiro[5.5]undecan-10-yl]propylamino]-3-methyl-2-oxidanyl-4-oxidanylidene-butyl]-4-methyl-3,9-bis(oxidanyl)dodeca-6,10-dienamide
MOLECULAR FORMULA: C40H70N2O8
MOLECULAR WEIGHT: 706.9924
SMILES: C/C=C/C(C/C=C/CC(C)C(CC(=O)NCC(C(C)C(=O)NCCCC1C(CCC2(O1)CCCC(O2)CCC(C)/C=C(\C)/C(C)O)C)O)O)O
Structure:
CAS RN: 154037-67-9
CAS Name: (8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-8,15-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
OPENEYE Name: (8S,11R,12S,15S,18S,19S,22R)-8,15-diisobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: (8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8,15-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
SYSTEMATIC NAME: (8S,11R,12S,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-1,5,12,19-tetramethyl-2-methylidene-8,15-bis(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarbo
MOLECULAR FORMULA: C49H73N7O12
MOLECULAR WEIGHT: 952.14362
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@@H](NC(=O)C(NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CC(C)C)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 151923-84-1
CAS Name: (2S)-2-(dimethylamino)-3-methoxypropanoic acid [(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,2S,3S,4S,7R,8S,9R,10R)-9-acetyloxy-7-[(2S)-2-(dimethylamino)-1-oxopropoxy]-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy
OPENEYE Name: [(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,1S,2S,3S,6R,7S,8R,9R)-8-acetoxy-6-[(2S)-2-(dimethylamino)propanoyl]oxy-11-[formyl(methyl)amino]-2-hydroxy-1,3,7,9-tetramethyl-undec-10-enyl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-ox
IUPAC Name: [(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,2S,3S,4S,7R,8S,9R,10R)-9-acetyloxy-7-[(2S)-2-(dimethylamino)propanoyl]oxy-12-[formyl(methyl)amino]-3-hydroxy-4,8,10-trimethyldodec-11-en-2-yl]-10-hydroxy-14,20-dimethoxy-9,11,15,18-tetramethyl-2-oxo-1-
SYSTEMATIC NAME: [(3Z,5Z,8R,9S,10R,11R,14S,15Z,18R,20R,21Z,24S)-24-[(E,2S,3S,4S,7R,8S,9R,10R)-9-acetyloxy-7-[(2S)-2-(dimethylamino)propanoyl]oxy-12-[methanoyl(methyl)amino]-4,8,10-trimethyl-3-oxidanyl-dodec-11-en-2-yl]-14,20-dimethoxy-9,11,15,18-tetramethyl-10-oxidanyl-2-
MOLECULAR FORMULA: C59H101N3O14
MOLECULAR WEIGHT: 1076.44494
SMILES: C[C@@H]1CC[C@@H](/C(=C\C[C@H](C[C@H](/C=C\C[C@H](OC(=O)/C=C\C=C/C[C@H]([C@H]([C@@H]1O)C)OC(=O)[C@H](COC)N(C)C)[C@@H](C)[C@H]([C@@H](C)CC[C@H]([C@H](C)[C@@H]([C@H](C)/C=C/N(C)C=O)OC(=O)C)OC(=O)[C@H](C)N(C)C)O)OC)C)/C)OC
Structure:
CAS RN: 147151-67-5
CAS Name: (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
IUPAC Name: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: [(4aS,4bR,8S,10aR,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,7,8,9,10,10b,11,12-dodecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C32H42Cl2N2O3
MOLECULAR WEIGHT: 573.59348
SMILES: C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC(=CC=C5)N(CCCl)CCCl
Structure:
CAS RN: 147151-61-9
CAS Name: (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
IUPAC Name: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8R,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C32H44Cl2N2O3
MOLECULAR WEIGHT: 575.60936
SMILES: C[C@]12CC[C@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC(=CC=C5)N(CCCl)CCCl
Structure:
CAS RN: 142185-85-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C60H86O18
MOLECULAR WEIGHT: 1095.31404
SMILES: C[C@@H]1C[C@H]2[C@@H](C[C@H]3[C@H](O2)[C@H]([C@@H]([C@H]4[C@H](O3)[C@H]([C@@H]([C@@]5(O4)CCCO5)C)C)O)C)O[C@H]6C[C@@H]7[C@]([C@@H](C[C@@H]8[C@@H](O7)C/C=C/C[C@@H]9[C@@H](O8)C=C[C@@H]2[C@@H](O9)C=C[C@@H]3[C@@H](O2)C[C@@H]2[C@@H](O3)[C@@H]([C@@H]3[C@@H](O2)C
Structure:
CAS RN: 141663-36-7
CAS Name: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-1,5,19-trimethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,
OPENEYE Name: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-15-(4-guanidinobutyl)-8-isobutyl-1,5,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic acid
IUPAC Name: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-15-[4-(diaminomethylideneamino)butyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-1
SYSTEMATIC NAME: (5R,8S,11R,15S,18S,19S,22R)-18-[(1E,3E,5S,6S)-6-acetyloxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-15-[4-[bis(azanyl)methylideneamino]butyl]-1,5,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-hepta
MOLECULAR FORMULA: C50H74N10O13
MOLECULAR WEIGHT: 1023.18176
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)C(=C)N(C(=O)CC[C@@H](NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)CCCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC(=O)C)/C
Structure:
CAS RN: 139981-26-3
CAS Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid
OPENEYE Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]vinyl]phosphonic acid
IUPAC Name: [(E)-2-[2-[(2-amino-6-oxo-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid
SYSTEMATIC NAME: [(E)-2-[2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methyl]phenyl]ethenyl]phosphonic acid
MOLECULAR FORMULA: C14H14N5O4P
MOLECULAR WEIGHT: 347.265821
SMILES: C1=CC=C(C(=C1)CN2C=NC3=C2NC(=NC3=O)N)/C=C/P(=O)(O)O
Structure:
CAS RN: 139265-93-3
CAS Name: (Z)-2-chloro-3-[[[di(propan-2-yl)amino]-oxomethyl]thio]-2-propenoic acid
OPENEYE Name: (Z)-2-chloro-3-(diisopropylcarbamoylsulfanyl)prop-2-enoic acid
IUPAC Name: (Z)-2-chloro-3-[di(propan-2-yl)carbamoylsulfanyl]prop-2-enoic acid
SYSTEMATIC NAME: (Z)-2-chloranyl-3-[di(propan-2-yl)carbamoylsulfanyl]prop-2-enoic acid
MOLECULAR FORMULA: C10H16ClNO3S
MOLECULAR WEIGHT: 265.75694
SMILES: CC(C)N(C(C)C)C(=O)S/C=C(/C(=O)O)\Cl
Structure:
CAS RN: 138079-62-6
CAS Name: acetic acid [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] ester
OPENEYE Name: [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
IUPAC Name: [(2E)-2-[(1R,6R,7R,11Z)-7-hydroxy-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] acetate
SYSTEMATIC NAME: [(2E)-2-[(1R,6R,7R,11Z)-6,7,14-trimethyl-7-oxidanyl-3,8,17-tris(oxidanylidene)-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-4-ylidene]ethyl] ethanoate
MOLECULAR FORMULA: C21H29NO8
MOLECULAR WEIGHT: 423.45686
SMILES: C[C@@H]1C/C(=C\COC(=O)C)/C(=O)O[C@@H]2CCN(C/C=C(\C2=O)/COC(=O)[C@]1(C)O)C
Structure:
CAS RN: 137866-26-3
CAS Name: (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]-2-propenoic acid [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] ester
OPENEYE Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
IUPAC Name: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxo-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
SYSTEMATIC NAME: [(4aS,4bR,6aS,8S,10aS,10bS,12aS)-10a,12a-dimethyl-2-oxidanylidene-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-1H-naphtho[2,1-f]quinolin-8-yl] (E)-3-[3-[bis(2-chloroethyl)amino]phenyl]prop-2-enoate
MOLECULAR FORMULA: C32H44Cl2N2O3
MOLECULAR WEIGHT: 575.60936
SMILES: C[C@]12CC[C@@H](C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CCC(=O)N4)C)OC(=O)/C=C/C5=CC(=CC=C5)N(CCCl)CCCl
Structure:
CAS RN: 135467-87-7
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MOLECULAR FORMULA: C33H40O10
MOLECULAR WEIGHT: 596.6647
SMILES: C[C@@H]1C[C@@]23C(=O)[C@@H]([C@H]([C@H]4[C@H](C4(C)C)[C@@H]([C@H](/C(=C\[C@]2([C@@H]1OC(=O)C)O3)/C)OC(=O)C5=CC=CC=C5)OC(=O)C)OC(=O)C)C
Structure:
CAS RN: 134861-62-4
CAS Name: (2S,4S,5S)-4-[(1E,3E,5E)-7-[[(2R,6R)-6-[(2R,3S,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyl-3-oxanyl]oxy]-7-oxohepta-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid
OPENEYE Name: (2S,4S,5S)-4-[(1E,3E,5E)-7-[(2R,6R)-6-[(2R,3S,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyl-tetrahydropyran-3-yl]oxy-7-oxo-hepta-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid
IUPAC Name: (2S,4S,5S)-4-[(1E,3E,5E)-7-[(2R,6R)-6-[(2R,3S,4aR,12bS)-2,3,4a,8,12b-pentahydroxy-3-methyl-1,7,12-trioxo-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyloxan-3-yl]oxy-7-oxohepta-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxylic acid
SYSTEMATIC NAME: (2S,4S,5S)-4-[(1E,3E,5E)-7-[(2R,6R)-6-[(2R,3S,4aR,12bS)-3-methyl-2,3,4a,8,12b-pentakis(oxidanyl)-1,7,12-tris(oxidanylidene)-2,4-dihydrobenzo[a]anthracen-9-yl]-2-methyl-oxan-3-yl]oxy-7-oxidanylidene-hepta-1,3,5-trienyl]-2,5-dimethyl-1,3-dioxolane-2-carboxy
MOLECULAR FORMULA: C38H40O15
MOLECULAR WEIGHT: 736.7152
SMILES: C[C@H]1[C@@H](O[C@@](O1)(C)C(=O)O)/C=C/C=C/C=C/C(=O)OC2CC[C@@H](O[C@@H]2C)C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C=C[C@]6([C@@]5(C(=O)[C@@H]([C@@](C6)(C)O)O)O)O)O
Structure:
CAS RN: 134842-07-2
CAS Name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane
OPENEYE Name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-(3-guanidinopropyl)-8-isobutyl-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,12,19-trimethyl-2-methylene-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosane-11,22-dicarboxylic aci
IUPAC Name: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-(diaminomethylideneamino)propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenylhepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptaoxo-1,4,7,10,14,17,21-heptazacyclopentacosa
SYSTEMATIC NAME: (5R,8R,11R,12S,15S,18S,19S,22R)-15-[3-[bis(azanyl)methylideneamino]propyl]-18-[(1E,3E,5S,6S)-6-methoxy-3,5-dimethyl-7-phenyl-hepta-1,3-dienyl]-5,12,19-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,20,25-heptakis(oxidanylidene)-1,4,7,10,14,17,21-h
MOLECULAR FORMULA: C48H72N10O12
MOLECULAR WEIGHT: 981.14508
SMILES: C[C@H]1[C@@H](NC(=O)[C@@H](NC(=O)[C@H]([C@@H](NC(=O)[C@H](NC(=O)[C@H](NC(=O)C(=C)NC(=O)CC[C@@H](NC1=O)C(=O)O)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)/C=C/C(=C/[C@H](C)[C@H](CC2=CC=CC=C2)OC)/C
Structure:
CAS RN: 134376-90-2
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (Z)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-1-cyclopentenyl]-5-heptenoic acid
OPENEYE Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (Z)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxo-cyclopenten-1-yl]hept-5-enoic acid
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (Z)-7-[2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopenten-1-yl]hept-5-enoic acid
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; (Z)-7-[5-oxidanylidene-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopenten-1-yl]hept-5-enoic acid
MOLECULAR FORMULA: C26H38O10
MOLECULAR WEIGHT: 510.57392
SMILES: CCCCC[C@@H](/C=C/C1=C(C(=O)CC1)C/C=C\CCCC(=O)O)O.C([C@@H]([C@@H]1C(=O)C(=C(O1)O)O)O)O
Structure:
CAS RN: 134053-89-7
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H46O9
MOLECULAR WEIGHT: 574.70224
SMILES: CC[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/C([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4(C(C=C([C@H]5O)C)C(=O)O3)O)C)O)\CO)C
Structure:
CAS RN: 133876-12-7
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MOLECULAR FORMULA: C43H69NO12
MOLECULAR WEIGHT: 792.00746
SMILES: CC[C@@H]1/C=C(\C[C@@H](CC([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/C4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)/C
Structure:
CAS RN: 133084-53-4
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MOLECULAR FORMULA: C27H39N3O3
MOLECULAR WEIGHT: 453.61686
SMILES: CC(C)[C@H]1C(=O)N[C@@H](CC2=CNC3=C(C=CC(=C23)N1C)[C@](C)(C/C=C/C(C)(C)O)C=C)CO
Structure:
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