(1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-1-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one

Systemtic Name: (1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-1-oxidanylidene-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one Openeye Name: (1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one CAS Name: (1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one IUPAC Name: (1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-10,13-dimethyl-1-oxo-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one Traditional Name: (1R,5R,7S)-7-[(8S,9S,10R,13S,14S,17R)-17-hydroxy-1-keto-10,13-dimethyl-9,11,12,14,15,16-hexahydro-8H-cyclopenta[a]phenanthren-17-yl]-4,4,5-trimethyl-2-oxabicyclo[3.2.1]octan-3-one Formula: C29H38O4 MolecularWeight: 450.60962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)OC2CC1(CC2C3(CCC4C3(CCC5C4C=CC6=CC=CC(=O)C56C)C)O)C)C

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2([C@H]4C[C@@]5(C[C@H]4OC(=O)C5(C)C)C)O)C=CC6=CC=CC(=O)[C@]36C

InChI

InChI=1S/C29H38O4/c1-25(2)24(31)33-22-16-26(25,3)15-21(22)29(32)14-12-19-18-10-9-17-7-6-8-23(30)28(17,5)20(18)11-13-27(19,29)4/h6-10,18-22,32H,11-16H2,1-5H3/t18-,19-,20-,21-,22+,26+,27-,28-,29+/m0/s1