11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-(1,3-benzodioxol-5-yl)-17-[(E)-hex-1-enyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H38O4 MolecularWeight: 474.63102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O

Isomeric SMILES

CCCC/C=C/C1(CCC2C1(CC(C3=C4CCC(=O)C=C4CCC23)C5=CC6=C(C=C5)OCO6)C)O

InChI

InChI=1S/C31H38O4/c1-3-4-5-6-14-31(33)15-13-26-24-10-7-20-16-22(32)9-11-23(20)29(24)25(18-30(26,31)2)21-8-12-27-28(17-21)35-19-34-27/h6,8,12,14,16-17,24-26,33H,3-5,7,9-11,13,15,18-19H2,1-2H3/b14-6+