[(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-5-oxidanyl-cyclohexyl] (2E,4E,6E,8E)-9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate

Systemtic Name: [(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-5-oxidanyl-cyclohexyl] (2E,4E,6E,8E)-9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate Openeye Name: [(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexyl] (2E,4E,6E,8E)-9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoate CAS Name: (2E,4E,6E,8E)-9-(6,6-dimethyl-1-cyclohexenyl)-3,7-dimethylnona-2,4,6,8-tetraenoic acid [(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylenecyclohexyl] ester IUPAC Name: [(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylidenecyclohexyl] (2E,4E,6E,8E)-9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraenoate Traditional Name: (2E,4E,6E,8E)-9-(6,6-dimethylcyclohexen-1-yl)-3,7-dimethyl-nona-2,4,6,8-tetraenoic acid [(1R,3Z,5R)-3-[(2E)-2-[(1R,7aR)-7a-methyl-1-[(E,1R,4R)-1,4,5-trimethylhex-2-enyl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-5-hydroxy-4-methylene-cyclohexyl] ester Formula: C47H68O3 MolecularWeight: 681.04102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)OC(=O)C=C(C)C=CC=C(C)C=CC4=CCCCC4(C)C)C

Isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@H](C3=C)O)OC(=O)/C=C(\C)/C=C/C=C(\C)/C=C/C4=CCCCC4(C)C)C

InChI

InChI=1S/C47H68O3/c1-32(2)35(5)20-21-36(6)42-25-26-43-38(17-14-28-47(42,43)10)22-23-39-30-41(31-44(48)37(39)7)50-45(49)29-34(4)16-13-15-33(3)19-24-40-18-11-12-27-46(40,8)9/h13,15-16,18-24,29,32,35-36,41-44,48H,7,11-12,14,17,25-28,30-31H2,1-6,8-10H3/b16-13+,21-20+,24-19+,33-15+,34-29+,38-22+,39-23-/t35-,36+,41+,42+,43?,44+,47+/m0/s1