(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-15-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid

Systemtic Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-10,13-dimethyl-3,12-bis(oxidanyl)-15-oxidanylidene-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-dihydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-dihydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-dihydroxy-10,13-dimethyl-15-oxo-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14R,17R)-3,12-dihydroxy-15-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H38O5 MolecularWeight: 406.55552

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CC(=O)C2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H38O5/c1-13(4-7-21(28)29)17-11-19(26)22-16-6-5-14-10-15(25)8-9-23(14,2)18(16)12-20(27)24(17,22)3/h13-18,20,22,25,27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16-,17-,18+,20+,22+,23+,24+/m1/s1