(3S,5S,8S,9S,10S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde

Systemtic Name: (3S,5S,8S,9S,10S,13S,14S,17S)-13-methyl-3,17-bis(oxidanyl)-6-oxidanylidene-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Openeye Name: (3S,5S,8S,9S,10S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde CAS Name: (3S,5S,8S,9S,10S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carboxaldehyde IUPAC Name: (3S,5S,8S,9S,10S,13S,14S,17S)-3,17-dihydroxy-13-methyl-6-oxo-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Traditional Name: (3S,5S,8S,9S,10S,13S,14S,17S)-3,17-dihydroxy-6-keto-13-methyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-10-carbaldehyde Formula: C19H28O4 MolecularWeight: 320.42322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2O)CC(=O)C4C3(CCC(C4)O)C=O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC(=O)[C@@H]4[C@@]3(CC[C@@H](C4)O)C=O

InChI

InChI=1S/C19H28O4/c1-18-6-5-14-12(13(18)2-3-17(18)23)9-16(22)15-8-11(21)4-7-19(14,15)10-20/h10-15,17,21,23H,2-9H2,1H3/t11-,12-,13-,14-,15+,17-,18-,19-/m0/s1