(25R)-3α,7α,12α-trihydroxy-5β-cholestan-26-oate
Chemical Formula:
C27H45O5
Molecular Weight:
449.649 Daltons
Monoisotopic Mass:
450.33452458709996 Daltons
SMILES:
CC(CCCC(C)C([O-])=O)[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/C27H46O5/c1-15(6-5-7-16(2)25(31)32)19-8-9-20-24-21(14-23(30)27(19,20)4)26(3)11-10-18(28)12-17(26)13-22(24)29/h15-24,28-30H,5-14H2,1-4H3,(H,31,32)/p-1/t15-,16-,17+,18-,19-,20+,21+,22-,23+,24+,26+,27-/m1/s1
InChIKey:
Synonyms
- 3α,7α,12α-trihydroxy-5β-cholestan-26-ate
- 3α,7α,12α-trihydroxy-5β-cholestanoate
- 3α,7α,12α-trihydroxy5-β-cholestan-26-oate
- (25R)-3α,7α,12α-trihydroxy5-β-cholestan-26-oate
- 3α,7α,12α-trihydroxy-5β-cholestanate
- trihydroxycoprostanic acid
- trihydroxycoprostanoate
Databases
MetaCyc:
CPD-1836
ChEBI:
58734
PubChem (CID):
45266747
HMDB:
HMDB03873
MetaNetX:
MNXM162315