(25S)-26-oxocholesterol
Chemical Formula:
C27H44O2
Molecular Weight:
400.643 Daltons
Monoisotopic Mass:
400.3341306566 Daltons
SMILES:
CC([CH]=O)CCCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
InChI:
1S/C27H44O2/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/h8,17-19,21-25,29H,5-7,9-16H2,1-4H3/t18-,19+,21-,22-,23+,24-,25-,26-,27+/m0/s1
InChIKey:
Databases
MetaCyc:
CPD-19071
PubChem (CID):
122706317
MetaNetX:
MNXM163948