3alpha,7alpha-Dihydroxy-5beta-cholestanoate

Molecular Formula: C₂₇H₄₆O₄

InChI: InChI=1/C27H46O4/c1-16(6-5-7-17(2)25(30)31)20-8-9-21-24-22(11-13-27(20,21)4)26(3)12-10-19(28)14-18(26)15-23(24)29/h16-24,28-29H,5-15H2,1-4H3,(H,30,31)/t16-,17u,18+,19-,20u,21u,22u,23-,24u,26+,27-/m1/s1/f/h30H

InChIKey: InChIKey=ITZYGDKGRKKBSN-MIHSFCKEDS
SMILES: CC(CCCC(C)C(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

Names:
    C04554
    (6R)-6-[(3R,5S,7R,10S,13R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-heptanoic acid
    3alpha,7alpha-Dihydroxy-5beta-cholestanate
    3alpha,7alpha-Dihydroxy-5beta-cholestanoate

Registries:
    PubChem CID 440384
    PubChem ID 7159