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

Systemtic Name: (4R)-4-[(3R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-10,13-dimethyl-3,11,15-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3R,5R,8S,9S,10S,11S,13R,14S,15R,17R)-3,11,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[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)C1CC(C2C1(CC(C3C2CCC4C3(CCC(C4)O)C)O)C)O

Isomeric SMILES

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

InChI

InChI=1S/C24H40O5/c1-13(4-7-20(28)29)17-11-18(26)21-16-6-5-14-10-15(25)8-9-23(14,2)22(16)19(27)12-24(17,21)3/h13-19,21-22,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,16+,17-,18-,19+,21-,22-,23+,24-/m1/s1