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

Systemtic Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-10,13-dimethyl-3,12,15-tris(oxidanyl)-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Openeye Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid CAS Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid IUPAC Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid Traditional Name: (4R)-4-[(3R,5R,9R,10S,12S,13R,15R,17R)-3,12,15-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[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(C2=C3CCC4CC(CCC4(C3CC(C12C)O)C)O)O

Isomeric SMILES

C[C@H](CCC(=O)O)[C@H]1C[C@H](C2=C3CC[C@@H]4C[C@@H](CC[C@@]4([C@H]3C[C@@H]([C@]12C)O)C)O)O

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/h13-15,17-20,25-27H,4-12H2,1-3H3,(H,28,29)/t13-,14-,15-,17-,18+,19-,20+,23+,24+/m1/s1