(25R)-3α,7α-dihydroxy-5β-cholestan-26-al
Chemical Formula:
C27H46O3
Molecular Weight:
418.659 Daltons
Monoisotopic Mass:
418.34469534289997 Daltons
SMILES:
CC([CH]=O)CCCC(C)[CH]1(CC[CH]2(C(C)1CC[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
InChI:
1S/C27H46O3/c1-17(16-28)6-5-7-18(2)21-8-9-22-25-23(11-13-27(21,22)4)26(3)12-10-20(29)14-19(26)15-24(25)30/h16-25,29-30H,5-15H2,1-4H3/t17-,18-,19+,20-,21-,22+,23+,24-,25+,26+,27-/m1/s1
InChIKey:
Databases
MetaCyc:
CPD-10587
MetaboLights:
MTBLC27428
HMDB:
HMDB06894
PubChem (CID):
46926303
ChEBI:
27428
KEGG:
c05445
Seed:
cpd22726
MetaNetX:
MNXM163945