7α,12α-dihydroxycholest-4-en-3-one

Chemical Formula:

C₂₇H₄₄O₃

Molecular Weight:

416.643 Daltons

Monoisotopic Mass:

416.3290452787 Daltons

SMILES:

CC(C)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)CC4(C(C)3CCC(=O)C=4))))

InChI:

1S/C27H44O3/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/h13,16-17,20-25,29-30H,6-12,14-15H2,1-5H3/t17-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1

InChIKey:

UQPYXHJTHPHOMM-NIBOIBLTSA-N

Synonyms

4-cholesten-7α,12α-diol-3-one
7α,12α-dihydroxy-4-cholesten-3-one

Databases

MetaCyc: CPD-7237

MetaboLights: MTBLC28477

HMDB: HMDB02197

LIPID MAPS: LMST04030114

ChemSpider: 2339455

KEGG: C17339

PubChem (CID): 3081958

ChEBI: 28477

Reactome: 192195

MetaNetX: MNXM942