7α,12α-dihydroxy-5β-cholestan-3-one

Chemical Formula:

C₂₇H₄₆O₃

Molecular Weight:

418.659 Daltons

Monoisotopic Mass:

418.34469534289997 Daltons

SMILES:

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

InChI:

1S/C27H46O3/c1-16(2)7-6-8-17(3)20-9-10-21-25-22(15-24(30)27(20,21)5)26(4)12-11-19(28)13-18(26)14-23(25)29/h16-18,20-25,29-30H,6-15H2,1-5H3/t17-,18+,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

HHVQPBXBALLUDF-QORHGLQKSA-N

Synonyms

5β-cholestan-7α,12α-diol-3-one

Databases

MetaCyc: CPD-10503

MetaboLights: MTBLC2288

HMDB: HMDB06887

LIPID MAPS: LMST04030113

ChemSpider: 4447359

PubChem (CID): 5284271

ChEBI: 2288

KEGG: C05453

RefMet: 7alpha,12alpha-Dihydroxy-5beta-cholestan-3-one

Reactome: 192064

Seed: cpd03236

MetaNetX: MNXM1180