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Chemical structure of Crocin III

GC60729

Crocin III

Also known as (2E,4E,6E,8E,10E,12E,14E)-2,6,11,15-tetramethyl-16-oxo-16-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyhexadeca-2,4,6,8,10,12,14-heptaenoic acid

Crocin III is a crocetin from saffron (Crocus sutivus L

ChemicalCAS55750-85-1MW652.68FormulaC32H44O14
CAS number
55750-85-1
Molecular weight
652.68
Formula
C32H44O14
InChIKey
VULLCGFNYWDRHL-YJOFKXFJSA-N
Catalogue number
GC60729
Brand
GLPBIO
Computed properties PubChem CID 10461942 · XLogP 1.5 · TPSA 233 Ų · H-bond donors 8
XLogP
1.5
TPSA
233 Ų
H-bond donors
8
H-bond acceptors
14
Rotatable bonds
14
Heavy atoms
46

SMILES C/C(=C\C=C\C=C(/C)\C=C\C=C(/C)\C(=O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O)O)/C=C/C=C(\C)/C(=O)O

Computed descriptors from PubChem (CID 10461942), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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