beta-D-gentiobiosyl crocetin
A dicarboxylic acid monoester resulting from the formal condensation of one of the carboxylic acid groups of crocetin with the anomeric hydroxy group of beta-D-gentiobiose.
Exact Synonyms
1-O-[(2E,4E,6E,8E,10E,12E,14E)-15-carboxy-2,6,11-trimethylhexadeca-2,4,6,8,10,12,14-heptaenoyl]-6-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Related Synonyms
all-trans-crocetin mono(beta-D-gentiobiosyl) ester
crocetin mono(beta-gentiobiosyl) ester
trans-crocetin beta-D-gentiobiosyl ester
class Information
charge
0
formula
C32H44O14
has_dbxref
- MetaCyc:CPD-8664
- PMID:15605174
- Reaxys:1614638
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C32H44O14/c1-17(11-7-13-19(3)29(40)41)9-5-6-10-18(2)12-8-14-20(4)30(42)46-32-28(39)26(37)24(35)22(45-32)16-43-31-27(38)25(36)23(34)21(15-33)44-31/h5-14,21-28,31-39H,15-16H2,1-4H3,(H,40,41)/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
VULLCGFNYWDRHL-YJOFKXFJSA-N
in_subset
mass
652.68340
monoisotopicmass
652.27311
smiles
CC(\C=C\C=C(/C)C(O)=O)=C/C=C/C=C(C)/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
class Relations
Subclass of