3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid

Systemtic Name: 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxidanylidene-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid Openeye Name: 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid CAS Name: 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid IUPAC Name: 3-[(7R,8S,9S,10R,13R,14S)-7-methoxycarbonyl-10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propanoic acid Traditional Name: 3-[(7R,8S,9S,10R,13R,14S)-7-carbomethoxy-3-keto-10,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propionic acid Formula: C24H32O5 MolecularWeight: 400.50788

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2CCC(=O)O)C(CC4=CC(=O)C=CC34C)C(=O)OC

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2CCC(=O)O)[C@@H](CC4=CC(=O)C=C[C@]34C)C(=O)OC

InChI

InChI=1S/C24H32O5/c1-23-11-9-19-21(18(23)6-4-14(23)5-7-20(26)27)17(22(28)29-3)13-15-12-16(25)8-10-24(15,19)2/h8,10,12,14,17-19,21H,4-7,9,11,13H2,1-3H3,(H,26,27)/t14?,17-,18+,19+,21+,23-,24+/m1/s1