11-[4-(furan-3-yl)phenyl]-13-methyl-17-oxidanyl-17-(3-oxidanylpropyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 11-[4-(furan-3-yl)phenyl]-13-methyl-17-oxidanyl-17-(3-oxidanylpropyl)-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 11-[4-(3-furyl)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 11-[4-(3-furanyl)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 11-[4-(furan-3-yl)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 11-[4-(3-furyl)phenyl]-17-hydroxy-17-(3-hydroxypropyl)-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C31H36O4 MolecularWeight: 472.61514

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)C6=COC=C6

Isomeric SMILES

CC12CC(C3=C4CCC(=O)C=C4CCC3C1CCC2(CCCO)O)C5=CC=C(C=C5)C6=COC=C6

InChI

InChI=1S/C31H36O4/c1-30-18-27(21-5-3-20(4-6-21)23-12-16-35-19-23)29-25-10-8-24(33)17-22(25)7-9-26(29)28(30)11-14-31(30,34)13-2-15-32/h3-6,12,16-17,19,26-28,32,34H,2,7-11,13-15,18H2,1H3