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

Systemtic Name: methyl (5R,8S,9R,10R,13R,14R)-10,13-dimethyl-4,17-bis(oxidanylidene)-1,2,3,5,6,7,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-8-carboxylate Openeye Name: methyl (5R,8S,9R,10R,13R,14R)-10,13-dimethyl-4,17-dioxo-1,2,3,5,6,7,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-8-carboxylate CAS Name: (5R,8S,9R,10R,13R,14R)-10,13-dimethyl-4,17-dioxo-1,2,3,5,6,7,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-8-carboxylic acid methyl ester IUPAC Name: methyl (5R,8S,9R,10R,13R,14R)-10,13-dimethyl-4,17-dioxo-1,2,3,5,6,7,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-8-carboxylate Traditional Name: (5R,8S,9R,10R,13R,14R)-4,17-diketo-10,13-dimethyl-1,2,3,5,6,7,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-8-carboxylic acid methyl ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(=O)C1CCC3(C2CCC4(C3CCC4=O)C)C(=O)OC

Isomeric SMILES

C[C@]12CCCC(=O)[C@@H]1CC[C@@]3([C@@H]2CC[C@@]4([C@H]3CCC4=O)C)C(=O)OC

InChI

InChI=1S/C21H30O4/c1-19-10-4-5-14(22)13(19)8-12-21(18(24)25-3)15-6-7-17(23)20(15,2)11-9-16(19)21/h13,15-16H,4-12H2,1-3H3/t13-,15+,16+,19-,20+,21+/m0/s1