(8R,9S,13S,14R)-13-methyl-3,14-bis(oxidanyl)-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: (8R,9S,13S,14R)-13-methyl-3,14-bis(oxidanyl)-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one Openeye Name: (8R,9S,13S,14R)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one CAS Name: (8R,9S,13S,14R)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one IUPAC Name: (8R,9S,13S,14R)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one Traditional Name: (8R,9S,13S,14R)-3,14-dihydroxy-13-methyl-6,7,8,9,11,12,15,16-octahydrocyclopenta[a]phenanthren-17-one Formula: C18H22O3 MolecularWeight: 286.36548

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1(CCC2=O)O)CCC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@]1(CCC2=O)O)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C18H22O3/c1-17-8-6-14-13-4-3-12(19)10-11(13)2-5-15(14)18(17,21)9-7-16(17)20/h3-4,10,14-15,19,21H,2,5-9H2,1H3/t14-,15-,17-,18-/m1/s1