brassicasterol 3-O-β-D-glucoside

Chemical Formula:

C₃₄H₅₆O₆

Molecular Weight:

560.813 Daltons

Monoisotopic Mass:

560.4076895302001 Daltons

SMILES:

CC(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/C34H56O6/c1-19(2)20(3)7-8-21(4)25-11-12-26-24-10-9-22-17-23(13-15-33(22,5)27(24)14-16-34(25,26)6)39-32-31(38)30(37)29(36)28(18-35)40-32/h7-9,19-21,23-32,35-38H,10-18H2,1-6H3/b8-7+/t20-,21+,23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33-,34+/m0/s1

InChIKey:

ILUZPRRJJSFYEH-BMBLOSQWSA-N

Synonyms

3-O-β-D-brassicasterol-glucoside
β-D-glucopyranoside, (3β,22E)-ergosta-5,22-dien-3-yl
3-O-β-D-glucosyl-brassicasterol

Databases

MetaCyc: CPD-13084

PubChem (CID): 102515016 102317613

CAS: 51587-44-1

ChEBI: 145041

MetaNetX: MNXM14611