(1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(2R)-7-ethyl-3-methoxy-7,8-bis(oxidanyl)non-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol

Systemtic Name: (1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(2R)-7-ethyl-3-methoxy-7,8-bis(oxidanyl)non-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol Openeye Name: (1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(1R)-6-ethyl-6,7-dihydroxy-2-methoxy-1-methyl-oct-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol CAS Name: (1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(2R)-7-ethyl-7,8-dihydroxy-3-methoxynon-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol IUPAC Name: (1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(2R)-7-ethyl-7,8-dihydroxy-3-methoxynon-4-yn-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol Traditional Name: (1R,3S,5E)-5-[(2Z)-2-[(7aR)-1-[(1R)-6-ethyl-6,7-dihydroxy-2-methoxy-1-methyl-oct-3-ynyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylene-cyclohexane-1,3-diol Formula: C31H48O5 MolecularWeight: 500.70982

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#CC(C(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C)OC)(C(C)O)O

Isomeric SMILES

CCC(CC#CC([C@H](C)C1CCC\2[C@@]1(CCC/C2=C/C=C/3\C[C@H](C[C@@H](C3=C)O)O)C)OC)(C(C)O)O

InChI

InChI=1S/C31H48O5/c1-7-31(35,22(4)32)17-9-11-29(36-6)21(3)26-14-15-27-23(10-8-16-30(26,27)5)12-13-24-18-25(33)19-28(34)20(24)2/h12-13,21-22,25-29,32-35H,2,7-8,10,14-19H2,1,3-6H3/b23-12-,24-13+/t21-,22?,25-,26?,27?,28+,29?,30-,31?/m1/s1