(4R)-4-[(3R,5R,8R,9S,10S,13S,14S,15R,17R)-13-(hydroxymethyl)-10-methyl-3,15-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,10S,13S,14S,15R,17R)-13-(hydroxymethyl)-10-methyl-3,15-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,10S,13S,14S,15R,17R)-3,15-dihydroxy-13-(hydroxymethyl)-10-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,10S,13S,14S,15R,17R)-3,15-dihydroxy-13-(hydroxymethyl)-10-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,10S,13S,14S,15R,17R)-3,15-dihydroxy-13-(hydroxymethyl)-10-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,10S,13S,14S,15R,17R)-3,15-dihydroxy-10-methyl-13-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)C1CC(C2C1(CCC3C2CCC4C3(CCC(C4)O)C)CO)O

Isomeric SMILES

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

InChI

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