5β-cholestan-3-one

Chemical Formula:

C₂₇H₄₆O

Molecular Weight:

386.66 Daltons

Monoisotopic Mass:

386.3548660987 Daltons

SMILES:

CC(C)CCCC(C)[CH]3(CC[CH]4([CH]2(CC[CH]1(CC(=O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-20,22-25H,6-17H2,1-5H3/t19-,20-,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

PESKGJQREUXSRR-JDIFZLMISA-N

Synonyms

beta-cholestan-3-one
coprostan-3-one

Databases

MetaCyc: CPD-1082

HMDB: HMDB11182

ChemSpider: 83178

PubChem (CID): 92132

ChEBI: 16074

KEGG: C03091

CAS: 601-53-6

RefMet: 5beta-Cholestanone 5beta-cholestanone

Seed: cpd01983

MetaNetX: MNXM4406