β-sitosterol 3-O-β-D-glucoside

Chemical Formula:

C₃₅H₆₀O₆

Molecular Weight:

576.855 Daltons

Monoisotopic Mass:

576.4389896586 Daltons

SMILES:

CCC(C(C)C)CCC(C)[CH]4(CC[CH]5([CH]3(CC=C2(CC(OC1(OC(CO)C(O)C(O)C(O)1))CCC(C)2[CH]3CCC(C)45))))

InChI:

1S/C35H60O6/c1-7-22(20(2)3)9-8-21(4)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)40-33-32(39)31(38)30(37)29(19-36)41-33/h10,20-22,24-33,36-39H,7-9,11-19H2,1-6H3/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1

InChIKey:

NPJICTMALKLTFW-KUENWNPSSA-N

Synonyms

β-sitosterol glucoside
O-glucosyl-β-sitosterol
β-sitosterol-beta-D-glucopyranoside
daucosterol
3-O-β-D-glucosyl-β-sitosterol

Databases

MetaCyc: CPD-11608

PubChem (CID): 12309073 5742590

MetaboLights: MTBLC67554

ChEBI: 67554

MetaNetX: MNXM14612