CAS RN: 81834-84-6
CAS Name: (3E,5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hepta-3,5-dienoic acid methyl ester
OPENEYE Name: methyl (3E,5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]hepta-3,5-dienoate
IUPAC Name: methyl (3E,5Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,4R)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]hepta-3,5-dienoate
SYSTEMATIC NAME: methyl (3E,5Z)-7-[(1R,2R,3R)-2-[(E,4R)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]hepta-3,5-dienoate
MOLECULAR FORMULA: C22H34O5
MOLECULAR WEIGHT: 378.50236
SMILES: CCCC[C@](C)(C/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\C=C\CC(=O)OC)O)O
Structure:
CAS RN: 81827-76-1
CAS Name: (E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]-3-oxanyl]-7-nonenoic acid
OPENEYE Name: (E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]tetrahydropyran-3-yl]non-7-enoic acid
IUPAC Name: (E)-9-[4,6-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]oxan-3-yl]non-7-enoic acid
SYSTEMATIC NAME: (E)-9-[4,6-bis(oxidanyl)-2-[(E)-3-oxidanyloct-1-enyl]oxan-3-yl]non-7-enoic acid
MOLECULAR FORMULA: C22H38O6
MOLECULAR WEIGHT: 398.53352
SMILES: CCCCCC(/C=C/C1C(C(CC(O1)O)O)C/C=C/CCCCCC(=O)O)O
Structure:
CAS RN: 81827-55-6
CAS Name: (6Z)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
OPENEYE Name: (6Z)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-[hydroxy(phenyl)methylene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
IUPAC Name: (6Z)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-hydroxy-6-[hydroxy(phenyl)methylidene]-2,4-bis(3-methylbut-2-enyl)cyclohex-4-ene-1,3-dione
SYSTEMATIC NAME: (6Z)-2-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4-bis(3-methylbut-2-enyl)-5-oxidanyl-6-[oxidanyl(phenyl)methylidene]cyclohex-4-ene-1,3-dione
MOLECULAR FORMULA: C33H42O4
MOLECULAR WEIGHT: 502.68418
SMILES: CC(=CCC/C(=C/CC1(C(=O)C(=C(/C(=C(\C2=CC=CC=C2)/O)/C1=O)O)CC=C(C)C)CC=C(C)C)/C)C
Structure:
CAS RN: 81746-15-8
CAS Name: 4-[(E)-3-phenylprop-2-enyl]-1-piperazinecarboximidamide
OPENEYE Name: 4-[(E)-cinnamyl]piperazine-1-carboxamidine
IUPAC Name: 4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
SYSTEMATIC NAME: 4-[(E)-3-phenylprop-2-enyl]piperazine-1-carboximidamide
MOLECULAR FORMULA: C14H20N4
MOLECULAR WEIGHT: 244.3354
SMILES: C1CN(CCN1C/C=C/C2=CC=CC=C2)C(=N)N
Structure:
CAS RN: 81678-18-4
CAS Name: (6S,9Z)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one
OPENEYE Name: (6S,9Z)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one
IUPAC Name: (6S,9Z)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one
SYSTEMATIC NAME: (6S,9Z)-3,6,10-trimethyl-6,7,8,11-tetrahydro-4H-cyclodeca[b]furan-5-one
MOLECULAR FORMULA: C15H20O2
MOLECULAR WEIGHT: 232.3181
SMILES: C[C@H]1CC/C=C(\CC2=C(CC1=O)C(=CO2)C)/C
Structure:
CAS RN: 81566-72-5
CAS Name: 5-(dimethylamino)-N-[(E,2S,3R)-3-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]octadec-4-en-2-yl]-1-naphthalenesulfonamide
OPENEYE Name: 5-(dimethylamino)-N-[(E,1S,2R)-2-hydroxy-1-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]heptadec-3-enyl]naphthalene-1-sulfonamide
IUPAC Name: 5-(dimethylamino)-N-[(E,2S,3R)-3-hydroxy-1-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoctadec-4-en-2-yl]naphthalene-1-sulfonamide
SYSTEMATIC NAME: 5-(dimethylamino)-N-[(E,2S,3R)-1-[(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-octadec-4-en-2-yl]naphthalene-1-sulfonamide
MOLECULAR FORMULA: C36H58N2O9S
MOLECULAR WEIGHT: 694.91872
SMILES: CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C)O
Structure:
CAS RN: 81559-22-0
CAS Name: (2S)-2-acetamido-5-[hydroxy-[(E)-5-hydroxy-3-methyl-1-oxopent-2-enyl]amino]pentanoic acid [(E)-5-[3-[(5R)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxo-2-piperazinyl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enyl] ester
OPENEYE Name: [(E)-5-[3-[(5R)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxo-piperazin-2-yl]propyl-hydroxy-amino]-3-methyl-5-oxo-pent-3-enyl] (2S)-2-acetamido-5-[hydroxy-[(E)-5-hydroxy-3-methyl-pent-2-enoyl]amino]pentanoate
IUPAC Name: [(E)-5-[3-[(5R)-5-[3-[acetyl(hydroxy)amino]propyl]-3,6-dioxopiperazin-2-yl]propyl-hydroxyamino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]pentanoate
SYSTEMATIC NAME: [(E)-5-[3-[(5R)-5-[3-[ethanoyl(oxidanyl)amino]propyl]-3,6-bis(oxidanylidene)piperazin-2-yl]propyl-oxidanyl-amino]-3-methyl-5-oxidanylidene-pent-3-enyl] (2S)-2-acetamido-5-[[(E)-3-methyl-5-oxidanyl-pent-2-enoyl]-oxidanyl-amino]pentanoate
MOLECULAR FORMULA: C31H50N6O12
MOLECULAR WEIGHT: 698.7617
SMILES: C/C(=C\C(=O)N(CCC[C@@H](C(=O)OCC/C(=C/C(=O)N(CCCC1C(=O)N[C@@H](C(=O)N1)CCCN(C(=O)C)O)O)/C)NC(=O)C)O)/CCO
Structure:
CAS RN: 81542-99-6
CAS Name: (8Z)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
OPENEYE Name: (8Z)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
IUPAC Name: (8Z)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
SYSTEMATIC NAME: (8Z)-8-ethylidene-7,9-dihydro-6aH-pyrrolo[2,1-c][1,4]benzodiazepin-11-one
MOLECULAR FORMULA: C14H14N2O
MOLECULAR WEIGHT: 226.27376
SMILES: C/C=C\1/CC2C=NC3=CC=CC=C3C(=O)N2C1
Structure:
CAS RN: 81517-87-5
CAS Name: 6-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]-2-oxanone
OPENEYE Name: 6-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]tetrahydropyran-2-one
IUPAC Name: 6-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]oxan-2-one
SYSTEMATIC NAME: 6-[(1E,3Z,6Z,9Z)-pentadeca-1,3,6,9-tetraenyl]oxan-2-one
MOLECULAR FORMULA: C20H30O2
MOLECULAR WEIGHT: 302.451
SMILES: CCCCC/C=C\C/C=C\C/C=C\C=C\C1CCCC(=O)O1
Structure:
CAS RN: 81515-15-3
CAS Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
OPENEYE Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2,4-triol
IUPAC Name: (6R)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-1,2,4-triol
SYSTEMATIC NAME: (6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-1,2,4-triol
MOLECULAR FORMULA: C27H44O4
MOLECULAR WEIGHT: 432.63586
SMILES: C[C@H](CC(CC(C)(CO)O)O)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C
Structure:
CAS RN: 81446-12-0
CAS Name: (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
OPENEYE Name: (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylene-cyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,5-diol
IUPAC Name: (6S)-6-[(1R,3aS,4E,7aR)-4-[(2Z)-2-[(5R)-5-hydroxy-2-methylidenecyclohexylidene]ethylidene]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptane-2,5-diol
SYSTEMATIC NAME: (6S)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[(2Z)-2-[(5R)-2-methylidene-5-oxidanyl-cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methyl-heptane-2,5-diol
MOLECULAR FORMULA: C27H44O3
MOLECULAR WEIGHT: 416.63646
SMILES: C[C@@H]([C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@@H](CCC3=C)O)C)C(CCC(C)(C)O)O
Structure:
CAS RN: 81427-15-8
CAS Name: (2E,4E,8Z,11Z)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
OPENEYE Name: (2E,4E,8Z,11Z)-N-isobutyltetradeca-2,4,8,11-tetraenamide
IUPAC Name: (2E,4E,8Z,11Z)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
SYSTEMATIC NAME: (2E,4E,8Z,11Z)-N-(2-methylpropyl)tetradeca-2,4,8,11-tetraenamide
MOLECULAR FORMULA: C18H29NO
MOLECULAR WEIGHT: 275.42896
SMILES: CC/C=C\C/C=C\CC/C=C/C=C/C(=O)NCC(C)C
Structure:
CAS RN: 81416-72-0
CAS Name: (5E,8Z,11Z,13Z)-15-oxoeicosa-5,8,11,13-tetraenoic acid
OPENEYE Name: (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
IUPAC Name: (5E,8Z,11Z,13Z)-15-oxoicosa-5,8,11,13-tetraenoic acid
SYSTEMATIC NAME: (5E,8Z,11Z,13Z)-15-oxidanylideneicosa-5,8,11,13-tetraenoic acid
MOLECULAR FORMULA: C20H30O3
MOLECULAR WEIGHT: 318.4504
SMILES: CCCCCC(=O)/C=C\C=C/C/C=C\C/C=C/CCCC(=O)O
Structure:
CAS RN: 81397-68-4
CAS Name: (E)-3-(1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-2-propenoic acid
OPENEYE Name: (E)-3-(1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-prop-2-enoic acid
IUPAC Name: (E)-3-(1-hydroxy-3,7-dimethyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methylprop-2-enoic acid
SYSTEMATIC NAME: (E)-3-(3,7-dimethyl-1-oxidanyl-2,4,5,6,7,7a-hexahydro-1H-inden-4-yl)-2-methyl-prop-2-enoic acid
MOLECULAR FORMULA: C15H22O3
MOLECULAR WEIGHT: 250.33338
SMILES: CC1CCC(C2=C(CC(C12)O)C)/C=C(\C)/C(=O)O
Structure:
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