(6S,8R,9S,10R,13S,14S)-6-(methoxymethyl)-10,13-dimethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: (6S,8R,9S,10R,13S,14S)-6-(methoxymethyl)-10,13-dimethyl-17-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: (6S,8R,9S,10R,13S,14S)-17-hydroxy-6-(methoxymethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one CAS Name: (6S,8R,9S,10R,13S,14S)-17-hydroxy-6-(methoxymethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: (6S,8R,9S,10R,13S,14S)-17-hydroxy-6-(methoxymethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: (6S,8R,9S,10R,13S,14S)-17-hydroxy-6-(methoxymethyl)-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CC(C4=CC(=O)C=CC34C)COC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2O)C[C@@H](C4=CC(=O)C=C[C@]34C)COC

InChI

InChI=1S/C21H30O3/c1-20-8-6-14(22)11-18(20)13(12-24-3)10-15-16-4-5-19(23)21(16,2)9-7-17(15)20/h6,8,11,13,15-17,19,23H,4-5,7,9-10,12H2,1-3H3/t13-,15+,16+,17+,19?,20-,21+/m1/s1