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

Systemtic Name: (4R)-4-[(3R,5S,8S,9S,10R,12S,13R,14S,17R)-10,13-dimethyl-3,5,12-tris(oxidanyl)-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3R,5S,8S,9S,10R,12S,13R,14S,17R)-3,5,12-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3R,5S,8S,9S,10R,12S,13R,14S,17R)-3,5,12-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3R,5S,8S,9S,10R,12S,13R,14S,17R)-3,5,12-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3R,5S,8S,9S,10R,12S,13R,14S,17R)-3,5,12-trihydroxy-10,13-dimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]valeric acid Formula: C24H40O5 MolecularWeight: 408.5714

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4(C3(CCC(C4)O)C)O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C24H40O5/c1-14(4-7-21(27)28)17-5-6-18-16-9-11-24(29)13-15(25)8-10-22(24,2)19(16)12-20(26)23(17,18)3/h14-20,25-26,29H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16+,17-,18+,19+,20+,22-,23-,24+/m1/s1