(25R)-3α,7α-dihydroxy-5-β-cholestanate

Chemical Formula:

C₂₇H₄₅O₄

Molecular Weight:

433.65 Daltons

Monoisotopic Mass:

434.33960996499997 Daltons

SMILES:

CC(CCCC(C)C([O-])=O)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))

InChI:

1S/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)/p-1/t16-,17-,18+,19-,20-,21+,22+,23-,24+,26+,27-/m1/s1

InChIKey:

ITZYGDKGRKKBSN-RXDNHGQQSA-M

Synonyms

3-α,7-α-dihydroxy-5-β-cholestanoate
3-α,7-α-dihydroxy-5-β-cholestanate
(25R)-3α,7α-dihydroxy-5-β-cholestan-26-oate

Databases

MetaCyc: CPD-1834

ChEBI: 58750

PubChem (CID): 45266753

KEGG: C04554

MetaNetX: MNXM162722