(25R)-3-oxocholest-4-en-26-oate

Chemical Formula:

C₂₇H₄₁O₃

Molecular Weight:

413.619 Daltons

Monoisotopic Mass:

414.31339521449996 Daltons

SMILES:

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

InChI:

1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h16-18,21-24H,5-15H2,1-4H3,(H,29,30)/p-1/t17-,18-,21+,22-,23+,24+,26+,27-/m1/s1

InChIKey:

PSXQJZDFWDKBIP-MNVVPKPGSA-M

Synonyms

(25R)-3-oxocholest-4-en-26-oic acid
(25R)-3-oxo-4-cholesten-26-oate

Databases

MetaCyc: CPD-19067

ChEBI: 71570

PubChem (CID): 70698362

MetaNetX: MNXM100988

KEGG: C20839