CAS RN: 6247-66-1
CAS Name: (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
OPENEYE Name: (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
IUPAC Name: (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
SYSTEMATIC NAME: (2Z,6Z)-2,6-dimethylocta-2,6-dienedioic acid
MOLECULAR FORMULA: C10H14O4
MOLECULAR WEIGHT: 198.21576
SMILES: C/C(=C/C(=O)O)/CC/C=C(/C)\C(=O)O
Structure:
CAS RN: 487-61-6
CAS Name: 4-[(E)-1-indenylidenemethyl]aniline
OPENEYE Name: 4-[(E)-inden-1-ylidenemethyl]aniline
IUPAC Name: 4-[(E)-inden-1-ylidenemethyl]aniline
SYSTEMATIC NAME: 4-[(E)-inden-1-ylidenemethyl]aniline
MOLECULAR FORMULA: C16H13N
MOLECULAR WEIGHT: 219.28112
SMILES: C1=CC=C\2C(=C1)C=C/C2=C\C3=CC=C(C=C3)N
Structure:
CAS RN: 202748-83-2
CAS Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-3-furanone; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,35R,37S,38R)-N-[2-(dimethylamino)ethyl]-3-[[(2R,3S,4S,5S)-4-[[2-(dimethylamino)-1-oxoethyl]amino]-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-23,27,29,31,33,35
OPENEYE Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-furan-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,35R,37S,38R)-3-[(2R,3S,4S,5S)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31
IUPAC Name: (2R)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxyfuran-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,35R,37S,38R)-3-[(2R,3S,4S,5S)-4-[[2-(dimethylamino)acetyl]amino]-3,5-dihydroxy-6-methyloxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-23,27,29,31,33,35,37-hep
SYSTEMATIC NAME: (2R)-2-[(1S)-1,2-bis(oxidanyl)ethyl]-4,5-bis(oxidanyl)furan-3-one; (1S,3R,4E,6E,8E,10E,12E,14E,16E,18S,19R,23R,35R,37S,38R)-3-[(2R,3S,4S,5S)-4-[2-(dimethylamino)ethanoylamino]-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-N-[2-(dimethylamino)ethyl]-18-methyl-19
MOLECULAR FORMULA: C79H119N5O31
MOLECULAR WEIGHT: 1634.80506
SMILES: C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(CC(CC(CC(CC(CC(=O)C[C@H](CC(=O)O[C@@H]1[C@@H](C)CCC(CC(=O)C3=CC=C(C=C3)NC)O)O)O)O)O)O)O)O)C(=O)NCCN(C)C)O[C@H]4[C@H]([C@H]([C@@H](C(O4)C)O)NC(=O)CN(C)C)O.C([C@@H]([C@@H]1C(=O)C(=C(O1
Structure:
CAS RN: 83529-62-8
CAS Name: (E)-3-(3-hydroxy-4-methoxyphenyl)-2-propenoic acid [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-oxanyl]oxy]-3-oxanyl] ester
OPENEYE Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3-hydroxy-4-methoxy-phenyl)prop-2-enoate
IUPAC Name: [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoate
SYSTEMATIC NAME: [(2R,3R,4R,5R,6R)-6-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5-oxidanyl-oxan-3-yl] (E)-3-(4-methoxy-3-oxidanyl-phenyl)prop-2-enoate
MOLECULAR FORMULA: C30H38O15
MOLECULAR WEIGHT: 638.61372
SMILES: C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](O[C@@H]([C@H]2OC(=O)/C=C/C3=CC(=C(C=C3)OC)O)CO)OCCC4=CC(=C(C=C4)O)O)O)O)O)O
Structure:
CAS RN: 6805-41-0
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2
MOLECULAR FORMULA: C55H86O24
MOLECULAR WEIGHT: 1131.25694
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C
Structure:
CAS RN: 64156-26-9
CAS Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methyl-1-oxobut-2-enoxy]-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy
OPENEYE Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetoxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-
IUPAC Name: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,
SYSTEMATIC NAME: (2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-8-oxidanyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,5-bis[[(2
MOLECULAR FORMULA: C55H86O24
MOLECULAR WEIGHT: 1131.25694
SMILES: C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C
Structure:
CAS RN: 100157-26-4
CAS Name: (3R,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
OPENEYE Name: (3R,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylene-1-oxacyclotetradeca-7,12-diene-2,4-dione
IUPAC Name: (3R,7E,9S,12E,14S)-14-ethyl-5-hydroxy-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-1-oxacyclotetradeca-7,12-diene-2,4-dione
SYSTEMATIC NAME: (3R,7E,9S,12E,14S)-14-ethyl-5-(hydroxymethyl)-3,7,9,13-tetramethyl-11-methylidene-5-oxidanyl-1-oxacyclotetradeca-7,12-diene-2,4-dione
MOLECULAR FORMULA: C21H32O5
MOLECULAR WEIGHT: 364.47578
SMILES: CC[C@H]1/C(=C/C(=C)C[C@@H](/C=C(/CC(C(=O)[C@H](C(=O)O1)C)(CO)O)\C)C)/C
Structure:
CAS RN: 329744-44-7
CAS Name: 4-[(1E,3E)-4-[5-[[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]thio]-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile
OPENEYE Name: 4-[(1E,3E)-4-[5-[(1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1,2,4-triazol-1-yl)propyl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluoro-benzonitrile
IUPAC Name: 4-[(1E,3E)-4-[5-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile
SYSTEMATIC NAME: 4-[(1E,3E)-4-[5-[(2R,3R)-3-[2,4-bis(fluoranyl)phenyl]-3-oxidanyl-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluoranyl-benzenecarbonitrile
MOLECULAR FORMULA: C27H25F3N4O3S
MOLECULAR WEIGHT: 542.57261
SMILES: C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)SC3COC(OC3)/C=C/C=C/C4=C(C=C(C=C4)C#N)F
Structure:
CAS RN: 24394-09-0
CAS Name: 3,4-dihydroxy-2-methylenebutanoic acid [(3aR,4S,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] ester
OPENEYE Name: [(3aR,4S,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylene-butanoate
IUPAC Name: [(3aR,4S,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 3,4-dihydroxy-2-methylidenebutanoate
SYSTEMATIC NAME: [(3aR,4S,10Z,11aR)-10-(hydroxymethyl)-6-methyl-3-methylidene-2-oxidanylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] 2-methylidene-3,4-bis(oxidanyl)butanoate
MOLECULAR FORMULA: C20H26O7
MOLECULAR WEIGHT: 378.41624
SMILES: CC1=CCC/C(=C/[C@@H]2[C@@H]([C@H](C1)OC(=O)C(=C)C(CO)O)C(=C)C(=O)O2)/CO
Structure:
CAS RN: 2225-79-8
CAS Name: (3S,3aS,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
OPENEYE Name: (3S,3aS,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
IUPAC Name: (3S,3aS,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
SYSTEMATIC NAME: (3S,3aS,10E,11aS)-3,6,10-trimethyl-3a,4,5,8,9,11a-hexahydro-3H-cyclodeca[b]furan-2-one
MOLECULAR FORMULA: C15H22O2
MOLECULAR WEIGHT: 234.33398
SMILES: C[C@H]1[C@@H]2CCC(=CCC/C(=C/[C@H]2OC1=O)/C)C
Structure:
CAS RN: 11011-38-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H69NO12
MOLECULAR WEIGHT: 792.00746
SMILES: CC[C@@H]1/C=C(/C[C@@H](C[C@@H]([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/[C@H]4CC[C@@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)\C
Structure:
CAS RN: 119945-08-3
CAS Name: (1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
OPENEYE Name: (1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chlorovinyl]-1,5-dimethyl-cyclohexane
IUPAC Name: (1R,2R,4S,5R)-1,2,4-trichloro-5-[(E)-2-chloroethenyl]-1,5-dimethylcyclohexane
SYSTEMATIC NAME: (1R,2R,4S,5R)-1,2,4-tris(chloranyl)-5-[(E)-2-chloranylethenyl]-1,5-dimethyl-cyclohexane
MOLECULAR FORMULA: C10H14Cl4
MOLECULAR WEIGHT: 276.03016
SMILES: C[C@@]1(C[C@@]([C@@H](C[C@@H]1Cl)Cl)(C)Cl)/C=C/Cl
Structure:
CAS RN: 124888-22-8
CAS Name: 2-[(3S,6R,9Z,12R,15S,18S,21R,24S,27S)-18,21-bis(2-aminoethyl)-3-[(1S)-2-chloro-1-hydroxyethyl]-15-[3-(diaminomethylideneamino)propyl]-24-(hydroxymethyl)-27-[(3-hydroxy-1-oxoundecyl)amino]-2,5,8,11,14,17,20,23,26-nonaoxo-12-(phenylmethyl)-9-propylidene-1-o
OPENEYE Name: 2-[(3S,6R,9Z,12R,15S,18S,21R,24S,27S)-18,21-bis(2-aminoethyl)-12-benzyl-3-[(1S)-2-chloro-1-hydroxy-ethyl]-15-(3-guanidinopropyl)-24-(hydroxymethyl)-27-(3-hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-9-propylidene-1-oxa-4,7,10,13,16,19,22,25-oct
IUPAC Name: 2-[(3S,6R,9Z,12R,15S,18S,21R,24S,27S)-18,21-bis(2-aminoethyl)-12-benzyl-3-[(1S)-2-chloro-1-hydroxyethyl]-15-[3-(diaminomethylideneamino)propyl]-24-(hydroxymethyl)-27-(3-hydroxyundecanoylamino)-2,5,8,11,14,17,20,23,26-nonaoxo-9-propylidene-1-oxa-4,7,10,13,
SYSTEMATIC NAME: 2-[(3S,6R,9Z,12R,15S,18S,21R,24S,27S)-18,21-bis(2-azanylethyl)-15-[3-[bis(azanyl)methylideneamino]propyl]-3-[(1S)-2-chloranyl-1-oxidanyl-ethyl]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonakis(oxidanylidene)-27-(3-oxidanylundecanoylamino)-12-(phenylmeth
MOLECULAR FORMULA: C53H85ClN14O17
MOLECULAR WEIGHT: 1225.7786
SMILES: CCCCCCCCC(CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@H](NC(=O)/C(=C/CC)/NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CO)CCN)CCN)CCCN=C(N)N)CC2=CC=CC=C2)C(C(=O)O)O)[C@@H](CCl)O)O
Structure:
CAS RN: 206991-64-2
CAS Name: (Z)-N,N'-bis[3-(ethylamino)propyl]-2-butene-1,4-diamine
OPENEYE Name: (Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
IUPAC Name: (Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
SYSTEMATIC NAME: (Z)-N,N'-bis[3-(ethylamino)propyl]but-2-ene-1,4-diamine
MOLECULAR FORMULA: C14H32N4
MOLECULAR WEIGHT: 256.43068
SMILES: CCNCCCNC/C=C\CNCCCNCC
Structure:
CAS RN: 170591-45-4
CAS Name: 3-[[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]-oxomethyl]-5-hydroxy-5-(phenylmethyl)-1H-pyrrol-2-one
OPENEYE Name: 3-[(1S,2R,4aR,6R,8aS)-2-[(1E,3E)-1,3-dimethylpenta-1,3-dienyl]-3,4a,6-trimethyl-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one
IUPAC Name: 3-[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalene-1-carbonyl]-5-benzyl-5-hydroxy-1H-pyrrol-2-one
SYSTEMATIC NAME: 3-[[(1S,2R,4aR,6R,8aS)-3,4a,6-trimethyl-2-[(2E,4E)-4-methylhexa-2,4-dien-2-yl]-2,5,6,7,8,8a-hexahydro-1H-naphthalen-1-yl]carbonyl]-5-oxidanyl-5-(phenylmethyl)-1H-pyrrol-2-one
MOLECULAR FORMULA: C32H41NO3
MOLECULAR WEIGHT: 487.67284
SMILES: C/C=C(\C)/C=C(\C)/[C@H]1[C@H]([C@@H]2CC[C@H](C[C@]2(C=C1C)C)C)C(=O)C3=CC(NC3=O)(CC4=CC=CC=C4)O
Structure:
CAS RN: 74436-00-3
CAS Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,1
OPENEYE Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methyl-hex-4-enyl]-6,9,18,24-tetraisobutyl-3,21-diisopropyl-1,4,7,10,12,15,19,25,28-nonamethyl-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,
IUPAC Name: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,19,25,28-nonamethyl-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,1
SYSTEMATIC NAME: (3S,6S,9S,12R,15S,18S,21S,24S,30S,33S)-1,4,7,10,12,15,19,25,28-nonamethyl-33-[(E,1R,2R)-2-methyl-1-oxidanyl-hex-4-enyl]-6,9,18,24-tetrakis(2-methylpropyl)-3,21-di(propan-2-yl)-30-propyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14
MOLECULAR FORMULA: C63H113N11O12
MOLECULAR WEIGHT: 1216.63782
SMILES: CCC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C
Structure:
CAS RN: 74131-08-1
CAS Name: 5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-oxolanyl]pyrimidine-2,4-dione
OPENEYE Name: 5-[(E)-2-chlorovinyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
IUPAC Name: 5-[(E)-2-chloroethenyl]-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SYSTEMATIC NAME: 5-[(E)-2-chloranylethenyl]-1-[(2R,4S,5R)-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]pyrimidine-2,4-dione
MOLECULAR FORMULA: C11H13ClN2O5
MOLECULAR WEIGHT: 288.68432
SMILES: C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=O)/C=C/Cl)CO)O
Structure:
CAS RN: 2061-64-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H44O3
MOLECULAR WEIGHT: 428.64716
SMILES: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
Structure:
CAS RN: 16783-99-6
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C41H56N4O11
MOLECULAR WEIGHT: 780.90354
SMILES: C[C@H]1/C=C/C=C(\C(=O)NC\2=C(C3=C(C(=C4C(=C3C(=O)/C2=C/NN5CCN(CC5)C)C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)O)C)OC)C)C)O)O)/C
Structure:
CAS RN: 7372-30-7
CAS Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
OPENEYE Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetoxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
SYSTEMATIC NAME: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-acetyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
MOLECULAR FORMULA: C32H50O4
MOLECULAR WEIGHT: 498.737
SMILES: C[C@@H]1CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)OC(=O)C)C)C)[C@@H]2[C@H]1C)C)C(=O)O
Structure:
CAS RN: 143839-74-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C43H69NO13
MOLECULAR WEIGHT: 808.00686
SMILES: CC[C@H]1/C=C(/[C@@H]([C@@H](C[C@@H]([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/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC)C)O)\C
Structure:
CAS RN: 1401-69-0
CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4R,5R,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethy
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-meth
IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9
MOLECULAR FORMULA: C46H77NO17
MOLECULAR WEIGHT: 916.10008
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)COC4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
Structure:
CAS RN: 1405-54-5
CAS Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[[(2R,3R,4R,5R,6R)-5-[[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-2-oxanyl]oxy]-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl]oxymethy
OPENEYE Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-meth
IUPAC Name: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-6-[(2R,3R,4R,5R,6R)-5-[(2S,4R,5S,6S)-4,5-dihydroxy-4,6-dimethyloxan-2-yl]oxy-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-16-ethyl-4-hydroxy-15-[[(3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-5
SYSTEMATIC NAME: 2-[(4R,5S,6S,7R,9R,11E,13E,15R,16R)-15-[[(3R,4R,5R,6R)-3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxymethyl]-6-[(2R,3R,4R,5R,6R)-4-(dimethylamino)-5-[(2S,4R,5S,6S)-4,6-dimethyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-3-oxidanyl-oxan-2-yl]oxy-16-ethyl-5,9
MOLECULAR FORMULA: C46H77NO17
MOLECULAR WEIGHT: 916.10008
SMILES: CC[C@@H]1[C@H](/C=C(/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)O)C)O[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)\C)COC4[C@@H]([C@@H]([C@@H]([C@H](O4)C)O)OC)OC
Structure:
No comments:
Post a Comment