CAS RN: 97190-30-2
CAS Name: 1-[(3aR,4R,5R,7aS)-5-[(E)-5-(2-pyridinyl)pent-3-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone
OPENEYE Name: 1-[(3aR,4R,5R,7aS)-5-[(E)-5-(2-pyridyl)pent-3-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone
IUPAC Name: 1-[(3aR,4R,5R,7aS)-5-[(E)-5-pyridin-2-ylpent-3-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone
SYSTEMATIC NAME: 1-[(3aR,4R,5R,7aS)-5-[(E)-5-pyridin-2-ylpent-3-enyl]-2,3,3a,4,5,7a-hexahydro-1H-inden-4-yl]ethanone
MOLECULAR FORMULA: C21H27NO
MOLECULAR WEIGHT: 309.44518
SMILES: CC(=O)[C@H]1[C@@H]2CCC[C@H]2C=C[C@H]1CC/C=C/CC3=CC=CC=N3
Structure:
CAS RN: 95152-89-9
CAS Name: [(4Z,6Z,12Z,14Z,16Z)-18-hydroxy-7,19-dimethyl-20-methylene-2-[(3E)-3-methylhexa-3,5-dienyl]-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
OPENEYE Name: [(4Z,6Z,12Z,14Z,16Z)-18-hydroxy-7,19-dimethyl-20-methylene-2-[(3E)-3-methylhexa-3,5-dienyl]-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
IUPAC Name: [(4Z,6Z,12Z,14Z,16Z)-18-hydroxy-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-22-oxo-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
SYSTEMATIC NAME: [(4Z,6Z,12Z,14Z,16Z)-7,19-dimethyl-2-[(3E)-3-methylhexa-3,5-dienyl]-20-methylidene-18-oxidanyl-22-oxidanylidene-1-oxacyclodocosa-4,6,12,14,16-pentaen-8-yl] dihydrogen phosphate
MOLECULAR FORMULA: C31H45O7P
MOLECULAR WEIGHT: 560.658561
SMILES: CC1C(/C=C\C=C/C=C\CCCC(/C(=C\C=C/CC(OC(=O)CC1=C)CC/C(=C/C=C)/C)/C)OP(=O)(O)O)O
Structure:
CAS RN: 94837-49-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C48H75O17P
MOLECULAR WEIGHT: 955.072661
SMILES: CC[C@H](C)[C@@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)OP(=O)(O)O)OC)OC)\C)C
Structure:
CAS RN: 94116-20-8
CAS Name: 3-[[(10E,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[(10E,20E)-15-[(E)-9-guanidino-1,3-dimethyl-non-3-enyl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[(10E,20E)-15-[(E)-10-(diaminomethylideneamino)-4-methyldec-4-en-2-yl]-3,5,7,9,23,25,27,31,33,34,35-undecahydroxy-8,10,14,18,22,26,30-heptamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[(10E,20E)-15-[(E)-10-[bis(azanyl)methylideneamino]-4-methyl-dec-4-en-2-yl]-8,10,14,18,22,26,30-heptamethyl-3,5,7,9,23,25,27,31,33,34,35-undecakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,20-dien-19-yl]oxy]-3-oxidanylidene
MOLECULAR FORMULA: C57H101N3O18
MOLECULAR WEIGHT: 1116.42114
SMILES: CC1CC/C=C(/C(C(C(CC(CC(CC2CC(C(C(O2)(CC(C(CCC(C(C(CC(C(/C=C/C(C(C(=O)OC1C(C)C/C(=C/CCCCCN=C(N)N)/C)C)OC(=O)CC(=O)O)C)O)O)C)O)C)O)O)O)O)O)O)O)C)O)\C
Structure:
CAS RN: 92121-62-5
CAS Name: acetic acid [(1S,4R,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylene-3,7-dioxo-4-bicyclo[7.2.0]undec-5-enyl] ester
OPENEYE Name: [(1S,4R,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylene-3,7-dioxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
IUPAC Name: [(1S,4R,5Z,8R,9R)-8-hydroxy-6,10,10-trimethyl-2-methylidene-3,7-dioxo-4-bicyclo[7.2.0]undec-5-enyl] acetate
SYSTEMATIC NAME: [(1S,4R,5Z,8R,9R)-6,10,10-trimethyl-2-methylidene-8-oxidanyl-3,7-bis(oxidanylidene)-4-bicyclo[7.2.0]undec-5-enyl] ethanoate
MOLECULAR FORMULA: C17H22O5
MOLECULAR WEIGHT: 306.35358
SMILES: C/C/1=C/[C@H](C(=O)C(=C)[C@H]2CC([C@@H]2[C@H](C1=O)O)(C)C)OC(=O)C
Structure:
CAS RN: 84680-56-8
CAS Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-2-oxanyl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-6-nonenoic acid
OPENEYE Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyl-tetrahydropyran-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxo-non-6-enoic acid
IUPAC Name: (E)-8-[7-hydroxy-3-[3-[6-hydroxy-6-(hydroxymethyl)-3,5-dimethyloxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxonon-6-enoic acid
SYSTEMATIC NAME: (E)-8-[3-[3-[6-(hydroxymethyl)-3,5-dimethyl-6-oxidanyl-oxan-2-yl]-1,6-dimethyl-4,10-dioxaspiro[4.5]decan-9-yl]-3,8-dimethyl-7-oxidanyl-4,10-dioxaspiro[4.5]decan-9-yl]-2,4,6-trimethyl-5-oxidanylidene-non-6-enoic acid
MOLECULAR FORMULA: C40H66O11
MOLECULAR WEIGHT: 722.94544
SMILES: CC1CCC(OC12C(CC(O2)C3C(CC(C(O3)(CO)O)C)C)C)C4(CCC5(O4)CC(C(C(O5)C(C)/C=C(\C)/C(=O)C(C)CC(C)C(=O)O)C)O)C
Structure:
CAS RN: 83883-27-6
CAS Name: (3E,13Z)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-2-oxanyl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
OPENEYE Name: (3E,13Z)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
IUPAC Name: (3E,13Z)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-16-ethyl-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-5,7,9-trimethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
SYSTEMATIC NAME: (3E,13Z)-15-[(3,4-dimethoxy-6-methyl-5-oxidanyl-oxan-2-yl)oxymethyl]-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-16-ethyl-5,7,9-trimethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
MOLECULAR FORMULA: C37H63NO12
MOLECULAR WEIGHT: 713.89562
SMILES: CCC1C(/C=C\CCC(=O)C(CC(C(C(/C=C/C(=O)O1)C)OC2C(C(C(C(O2)C)O)N(C)C)O)C)C)COC3C(C(C(C(O3)C)O)OC)OC
Structure:
CAS RN: 83851-42-7
CAS Name: (5S,7E,9E,11Z,14Z)-6-[[(2R)-2-[[(4S)-4-amino-4-carboxy-1-oxobutyl]amino]-2-carboxyethyl]thio]-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxy-butanoyl]amino]-2-carboxy-ethyl]sulfanyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-2-carboxyethyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-oxidanyl-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C28H44N2O8S
MOLECULAR WEIGHT: 568.72256
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\C([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)N
Structure:
CAS RN: 83259-66-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H66N2O17
MOLECULAR WEIGHT: 955.05154
SMILES: C[C@H]1C[C@@H]([C@@H]([C@@H]2[C@@H]1[C@]3([C@@H](C=C2)C(/C=C/[C@@H](/C(=C/[C@@H]4[C@H](C=C(CC45C(=O)C(=C(O5)O)C3=O)C=O)O)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)O)OC(=O)C)C
Structure:
CAS RN: 83097-12-5
CAS Name: [2-[(1R)-1-aminoethyl]phenyl]methanol; (E)-4-(4-chlorophenoxy)-4-oxo-2-butenoic acid; N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]ethanamine; N,N-dimethyl-3-(2-pyridinyl)-1-propanamine; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-hydroxypropane-1,2,3-tri
OPENEYE Name: [2-[(1R)-1-aminoethyl]phenyl]methanol; 2-(2-benzylphenoxy)-N,N-dimethyl-ethanamine; (E)-4-(4-chlorophenoxy)-4-oxo-but-2-enoic acid; citric acid; N,N-dimethyl-3-(2-pyridyl)propan-1-amine; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; dihydrochloride
IUPAC Name: [2-[(1R)-1-aminoethyl]phenyl]methanol; 2-(2-benzylphenoxy)-N,N-dimethylethanamine; (E)-4-(4-chlorophenoxy)-4-oxobut-2-enoic acid; N,N-dimethyl-3-pyridin-2-ylpropan-1-amine; 3-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenol; 2-hydroxypropane-1,2,3-tricarboxyli
SYSTEMATIC NAME: [2-[(1R)-1-azanylethyl]phenyl]methanol; (E)-4-(4-chloranylphenoxy)-4-oxidanylidene-but-2-enoic acid; N,N-dimethyl-2-[2-(phenylmethyl)phenoxy]ethanamine; N,N-dimethyl-3-pyridin-2-yl-propan-1-amine; 3-[(1R)-2-(methylamino)-1-oxidanyl-ethyl]phenol; 2-oxidany
MOLECULAR FORMULA: C61H80Cl3N5O15
MOLECULAR WEIGHT: 1229.6714
SMILES: C[C@H](C1=CC=CC=C1CO)N.CNC[C@@H](C1=CC(=CC=C1)O)O.CN(C)CCCC1=CC=CC=N1.CN(C)CCOC1=CC=CC=C1CC2=CC=CC=C2.C1=CC(=CC=C1OC(=O)/C=C/C(=O)O)Cl.C(C(=O)O)C(CC(=O)O)(C(=O)O)O.Cl.Cl
Structure:
CAS RN: 82925-71-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C49H66N2O17
MOLECULAR WEIGHT: 955.05154
SMILES: C[C@H]1C[C@@H](C([C@@H]2[C@@H]1[C@]3([C@@H](C=C2)/C(=C\C[C@@H](/C(=C/[C@@H]4[C@H](C=C(CC45C(=O)C(=C(O5)O)C3=O)C=O)O)/C)O[C@H]6C[C@]([C@H]([C@H](O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)O[C@H]7C[C@H]([C@H]([C@@H](O7)C)OC(=O)C)O)C
Structure:
CAS RN: 82890-06-0
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-amino-4-carboxy-1-oxobutyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-amino-4-carboxy-butanoyl]amino]-3-(carboxymethylamino)-3-oxo-propyl]sulfonyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfonyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfonyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C30H47N3O11S
MOLECULAR WEIGHT: 657.77268
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)S(=O)(=O)C[C@@H](C(=O)NCC(=O)O)NC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 82850-11-1
CAS Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxyethyl)sulfonyl-5-hydroxyeicosa-7,9,11,14-tetraenoic acid
OPENEYE Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxy-ethyl)sulfonyl-5-hydroxy-icosa-7,9,11,14-tetraenoic acid
IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-6-(2-amino-2-carboxyethyl)sulfonyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
SYSTEMATIC NAME: (5S,6R,7E,9E,11Z,14Z)-6-(2-azanyl-3-oxidanyl-3-oxidanylidene-propyl)sulfonyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid
MOLECULAR FORMULA: C23H37NO7S
MOLECULAR WEIGHT: 471.60738
SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)S(=O)(=O)CC(C(=O)O)N
Structure:
CAS RN: 82695-94-1
CAS Name: 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-2-oxanyl]methylamino]ethenyl]-1H-indole-4,5-dione
OPENEYE Name: 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxytetrahydropyran-2-yl]methylamino]vinyl]-1H-indole-4,5-dione
IUPAC Name: 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]ethenyl]-1H-indole-4,5-dione
SYSTEMATIC NAME: 3-[(E)-2-[[(2R,3S,4R,5R)-2,3,4,5-tetrakis(oxidanyl)oxan-2-yl]methylamino]ethenyl]-1H-indole-4,5-dione
MOLECULAR FORMULA: C16H18N2O7
MOLECULAR WEIGHT: 350.32332
SMILES: C1[C@H]([C@H]([C@@H]([C@](O1)(CN/C=C/C2=CNC3=C2C(=O)C(=O)C=C3)O)O)O)O
Structure:
CAS RN: 82612-05-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C55H76N2O19
MOLECULAR WEIGHT: 1069.19394
SMILES: CC1CC(C(C2C1C3(C(C=C2)/C(=C\CC(/C(=C/C4C(C=C(CC45C(=O)C(=C(O5)O)C3=O)C=O)O)/C)OC6CC(C(C(O6)C)NC(=O)OC)(C)[N+](=O)[O-])/C)C)OC7CC(C(C(O7)C)OC(=O)C)OC8CCC(C(O8)C)O)C
Structure:
CAS RN: 82534-57-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C37H47NO13
MOLECULAR WEIGHT: 713.76798
SMILES: CC1/C=C/C(C(C(=O)NC2=CC(=O)C3=C4C(=C(C(=C3C2=O)O)C)OC(C4=O)(O/C=C/C(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O
Structure:
CAS RN: 82206-10-8
CAS Name: 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]-2-oxolanyl]prop-1-enyl]-3-methyl-2-oxanyl]prop-1-enyl]-6-methylcyclohexyl]-1-oxopropyl]-2-methylene-3-furanone
OPENEYE Name: 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]tetrahydrofuran-2-yl]prop-1-enyl]-3-methyl-tetrahydropyran-2-yl]prop-1-enyl]-6-methyl-cyclohexyl]propanoyl]-2-methylene-furan-3-one
IUPAC Name: 5-hydroxy-4-[(2R)-2-[(2R,6S)-2-[(E)-3-hydroxy-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyloxan-2-yl]prop-1-enyl]-6-methylcyclohexyl]propanoyl]-2-methylidenefuran-3-one
SYSTEMATIC NAME: 4-[(2R)-2-[(2R,6S)-2-[(E)-2-[(3S,6R)-6-[(E)-3-[(2S,5S)-5-[(1R)-1-methoxyethyl]oxolan-2-yl]prop-1-enyl]-3-methyl-oxan-2-yl]-3-oxidanyl-prop-1-enyl]-6-methyl-cyclohexyl]propanoyl]-2-methylidene-5-oxidanyl-furan-3-one
MOLECULAR FORMULA: C34H50O8
MOLECULAR WEIGHT: 586.756
SMILES: C[C@H]1CCC[C@H](C1[C@@H](C)C(=O)C2=C(OC(=C)C2=O)O)/C=C(\CO)/C3[C@H](CC[C@@H](O3)/C=C/C[C@@H]4CC[C@H](O4)[C@@H](C)OC)C
Structure:
CAS RN: 81988-76-3
CAS Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[[5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methyl-1-oxopropoxy)ethyl]-2-oxanyl]oxy]-5-[(Z)-2-isothiocyanato-1-oxobut-2-enoxy]-2-oxanyl]-2-amino-5-hydroxy-3,6-dioxo-1-cyclohexenecarboxylic acid
OPENEYE Name: 5-[6-(acetoxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]tetrahydropyran-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-tetrahydropyran-2-yl]-2-amino-5-hydroxy-3,6-dioxo-cyclohexene-1-carboxylic acid
IUPAC Name: 5-[6-(acetyloxymethyl)-3-hydroxy-4-[5-hydroxy-4-methoxy-6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]oxan-2-yl]oxy-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxyoxan-2-yl]-2-amino-5-hydroxy-3,6-dioxocyclohexene-1-carboxylic acid
SYSTEMATIC NAME: 5-[6-(acetyloxymethyl)-5-[(Z)-2-isothiocyanatobut-2-enoyl]oxy-4-[4-methoxy-6-methyl-5-[1-(2-methylpropanoyloxy)ethyl]-5-oxidanyl-oxan-2-yl]oxy-3-oxidanyl-oxan-2-yl]-2-azanyl-5-oxidanyl-3,6-bis(oxidanylidene)cyclohexene-1-carboxylic acid
MOLECULAR FORMULA: C33H44N2O17S
MOLECULAR WEIGHT: 772.77066
SMILES: C/C=C(/C(=O)OC1C(OC(C(C1OC2CC(C(C(O2)C)(C(C)OC(=O)C(C)C)O)OC)O)C3(CC(=O)C(=C(C3=O)C(=O)O)N)O)COC(=O)C)\N=C=S
Structure:
CAS RN: 81703-01-7
CAS Name: (3S,5Z)-3-undeca-1,5-dienol
OPENEYE Name: (3S,5Z)-undeca-1,5-dien-3-ol
IUPAC Name: (3S,5Z)-undeca-1,5-dien-3-ol
SYSTEMATIC NAME: (3S,5Z)-undeca-1,5-dien-3-ol
MOLECULAR FORMULA: C11H20O
MOLECULAR WEIGHT: 168.2759
SMILES: CCCCC/C=C\C[C@@H](C=C)O
Structure:
CAS RN: 81661-90-7
CAS Name: (11Z,13E)-6-[[4-(dimethylamino)-3,5-dihydroxy-6-methyl-2-oxanyl]oxy]-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
OPENEYE Name: (11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
IUPAC Name: (11Z,13E)-6-[4-(dimethylamino)-3,5-dihydroxy-6-methyloxan-2-yl]oxy-7,16-diethyl-4-hydroxy-5,9,13,15-tetramethyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
SYSTEMATIC NAME: (11Z,13E)-6-[4-(dimethylamino)-6-methyl-3,5-bis(oxidanyl)oxan-2-yl]oxy-7,16-diethyl-5,9,13,15-tetramethyl-4-oxidanyl-1-oxacyclohexadeca-11,13-diene-2,10-dione
MOLECULAR FORMULA: C31H53NO8
MOLECULAR WEIGHT: 567.75442
SMILES: CCC1CC(C(=O)/C=C\C(=C\C(C(OC(=O)CC(C(C1OC2C(C(C(C(O2)C)O)N(C)C)O)C)O)CC)C)\C)C
Structure:
CAS RN: 81560-70-5
CAS Name: (14E)-3,10-diethyl-7,9-dihydroxy-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
OPENEYE Name: (14E)-3,10-diethyl-7,9-dihydroxy-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
IUPAC Name: (14E)-3,10-diethyl-7,9-dihydroxy-2,8,12,16-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
SYSTEMATIC NAME: (14E)-3,10-diethyl-2,8,12,16-tetramethyl-7,9-bis(oxidanyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-ene-5,13-dione
MOLECULAR FORMULA: C23H38O6
MOLECULAR WEIGHT: 410.54422
SMILES: CCC1CC(C(=O)/C=C/C2(C(O2)C(C(OC(=O)CC(C(C1O)C)O)CC)C)C)C
Structure:
CAS RN: 52953-57-8
CAS Name: 3-[[15-[(E)-10-[[amino(methylimino)methyl]amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
OPENEYE Name: 3-[[3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-1-methyl-9-[(N'-methylcarbamimidoyl)amino]non-5-enyl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxo-propanoic acid
IUPAC Name: 3-[[3,7,9,23,25,27,31,33,34,35-decahydroxy-10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-17-oxo-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxopropanoic acid
SYSTEMATIC NAME: 3-[[10,14,18,22,26,30-hexamethyl-15-[(E)-10-[(N'-methylcarbamimidoyl)amino]dec-6-en-2-yl]-3,7,9,23,25,27,31,33,34,35-decakis(oxidanyl)-17-oxidanylidene-16,37-dioxabicyclo[31.3.1]heptatriaconta-10,12,18,20-tetraen-5-yl]oxy]-3-oxidanylidene-propanoic acid
MOLECULAR FORMULA: C56H95N3O17
MOLECULAR WEIGHT: 1082.3634
SMILES: CC1CCC(C(C(CC(C(C=CC=C(C(=O)OC(C(C=CC=C(C(CC(CC(CC(CC2CC(C(C(O2)(CC1O)O)O)O)O)OC(=O)CC(=O)O)O)O)C)C)C(C)CCC/C=C/CCCNC(=NC)N)C)C)O)O)C)O
Structure:
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