(4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: (4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-3-oxidanylidene-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(5R,9R,10S,13R,17R)-10,13-dimethyl-3-oxo-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(5R,9R,10S,13R,17R)-3-keto-10,13-dimethyl-1,2,4,5,6,7,9,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H34O3 MolecularWeight: 370.52496

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2=C3CCC4CC(=O)CCC4(C3C=CC12C)C

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1CCC2=C3CC[C@@H]4CC(=O)CC[C@@]4([C@H]3C=C[C@]12C)C

InChI

InChI=1S/C24H34O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h11,13,15-16,19,21H,4-10,12,14H2,1-3H3,(H,26,27)/t15-,16-,19-,21+,23+,24-/m1/s1