(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-al

(25<i>R</i>)-3α,7α,12α-trihydroxy-5β-cholestan-26-al




Chemical Formula:
C27H46O4
Molecular Weight:
434.658 Daltons
Monoisotopic Mass:
434.33960996499997 Daltons
SMILES:
CC([CH]=O)CCCC(C)[CH]1(CC[CH]2(C(C)1C(O)C[CH]3([CH]2C(O)C[CH]4(C(C)3CCC(O)C4))))
InChI:
1S/C27H46O4/c1-16(15-28)6-5-7-17(2)20-8-9-21-25-22(14-24(31)27(20,21)4)26(3)11-10-19(29)12-18(26)13-23(25)30/h15-25,29-31H,5-14H2,1-4H3/t16-,17-,18+,19-,20-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKey:
USFJGINJGUIFSY-IUFSEJPUSA-N

Synonyms
  • 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al
  • 3-α,7-α,12-α-trihydroxy-5-β-cholestan-26-al

Databases
MetaCyc:  3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX
MetaboLights:  MTBLC48940
HMDB:  HMDB03533
PubChem (CID):  24771792
ChEBI:  48940
KEGG:  C01301
MetaNetX:  MNXM162326