(4R)-4-[(3R,5R,8R,9S,10R,12S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3,12-bis(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,8R,9S,10R,12S,13R,14S,17R)-10-(hydroxymethyl)-13-methyl-3,12-bis(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,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10-(hydroxymethyl)-13-methyl-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,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10-(hydroxymethyl)-13-methyl-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,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-10-(hydroxymethyl)-13-methyl-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,8R,9S,10R,12S,13R,14S,17R)-3,12-dihydroxy-13-methyl-10-methylol-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)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)CO)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@H]4[C@@]3(CC[C@H](C4)O)CO)O)C

InChI

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