5β-cholestane-3α,7α,12α-triol

Chemical Formula:

C₂₇H₄₈O₃

Molecular Weight:

420.674 Daltons

Monoisotopic Mass:

420.3603454071 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/C27H48O3/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/h16-25,28-30H,6-15H2,1-5H3/t17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

RIVQQZVHIVNQFH-XJZYBRFWSA-N

Databases

MetaCyc: 5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP

MetaboLights: MTBLC16496

HMDB: HMDB01457

LIPID MAPS: LMST04030035

ChemSpider: 141053

ChEBI: 16496

PubChem (CID): 160520

KEGG: C05454

Seed: cpd03237

MetaNetX: MNXM709