bis(β-D-glucosyl) crocetin

Chemical Formula:

C₃₂H₄₄O₁₄

Molecular Weight:

652.691 Daltons

Monoisotopic Mass:

652.2731061218 Daltons

SMILES:

CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1(C(C(C(C(O1)CO)O)O)O))C=CC=C(C)C(=O)OC2(OC(C(C(C2O)O)O)CO)

InChI:

1S/C32H44O14/c1-17(11-7-13-19(3)29(41)45-31-27(39)25(37)23(35)21(15-33)43-31)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(40)26(38)24(36)22(16-34)44-32/h5-14,21-28,31-40H,15-16H2,1-4H3/b6-5+,11-7+,12-8+,17-9+,18-10+,19-13+,20-14+/t21-,22-,23-,24-,25+,26+,27-,28-,31+,32+/m1/s1

InChIKey:

QBZWPZHDUZGTLS-IIDMIUPYSA-N

Synonyms

crocetin diglucosyl ester

Databases

MetaCyc: CPD-8667

HMDB: HMDB02353

KEGG: C19868

ChEBI: 62768

PubChem (CID): 25244294

Seed: cpd21109

MetaNetX: MNXM4491