sitosterol
Chemical Formula:
C29H50O
Molecular Weight:
414.713 Daltons
Monoisotopic Mass:
414.3861662271 Daltons
SMILES:
CCC(C(C)C)CCC(C)[CH]3(CC[CH]4([CH]2(CC=C1(CC(O)CCC(C)1[CH]2CCC(C)34))))
InChI:
1S/C29H50O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-21,23-27,30H,7-9,11-18H2,1-6H3/t20-,21-,23+,24+,25-,26+,27+,28+,29-/m1/s1
InChIKey:
Synonyms
- β-sitosterol
- quebrachol
- cinchol
- cupreol
- rhamnol
- 22,23-dihydrostigmasterol
Databases
MetaCyc:
CPD-4143
RefMet:
Sitosterol
MetaboLights:
MTBLC27693
HMDB:
HMDB00852
LIPID MAPS:
LMST01040129
ChemSpider:
192962
PubChem (CID):
222284
ChEBI:
27693
KEGG:
C01753
Seed:
cpd01210
MetaNetX:
MNXM3359