(25S)-26-oxocholest-4-en-3-one

Chemical Formula:

C₂₇H₄₂O₂

Molecular Weight:

398.628 Daltons

Monoisotopic Mass:

398.31848059239996 Daltons

SMILES:

CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CCC1(=CC(=O)CCC(C)1[CH]2CCC(C)34))))

InChI:

1S/C27H42O2/c1-18(17-28)6-5-7-19(2)23-10-11-24-22-9-8-20-16-21(29)12-14-26(20,3)25(22)13-15-27(23,24)4/h16-19,22-25H,5-15H2,1-4H3/t18-,19+,22-,23+,24-,25-,26-,27+/m0/s1

InChIKey:

BGGFPZPRXRJKGG-NYJSJAOLSA-N

Synonyms

(25S)-3-oxocholest-4-en-26-al

Databases

MetaCyc: CPD-13888

KEGG: C21304

ChEBI: 83863

PubChem (CID): 86290156

MetaNetX: MNXM10110