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

Systemtic Name: (4R)-4-[(3S,5R,8S,9R,10S,11S,13R,14S,17R)-10,13-dimethyl-3,9,11-tris(oxidanyl)-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3S,5R,8S,9R,10S,11S,13R,14S,17R)-3,9,11-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3S,5R,8S,9R,10S,11S,13R,14S,17R)-3,9,11-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3S,5R,8S,9R,10S,11S,13R,14S,17R)-3,9,11-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3S,5R,8S,9R,10S,11S,13R,14S,17R)-3,9,11-trihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,11,12,14,15,16,17-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(CC(C3(C2CCC4C3(CCC(C4)O)C)O)O)C

Isomeric SMILES

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

InChI

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