stigmasterol 3-O-β-D-glucoside

Chemical Formula:

C₃₅H₅₈O₆

Molecular Weight:

574.84 Daltons

Monoisotopic Mass:

574.4233395944 Daltons

SMILES:

CCC(C(C)C)C=CC(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/C35H58O6/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/h8-10,20-22,24-33,36-39H,7,11-19H2,1-6H3/b9-8+/t21-,22-,24+,25+,26-,27+,28+,29-,30-,31+,32-,33+,34+,35-/m1/s1

InChIKey:

VWDLOXMZIGUBKM-OYTRLDRLSA-N

Synonyms

3-O-β-D-glucopyranosylstigmasterol
stigma-5,22-dien-3-β-D-glucopyranoside
stigmasterol 3-O-β-D-glucopyranoside

Databases

MetaCyc: CPD-11606

PubChem (CID): 101689889 6602508

ChEBI: 545207 68383

CAS: 19716-26-8

MetaNetX: MNXM109049