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Chemical structure of Isochlorogenic acid C

GC33912

Isochlorogenic acid C

Also listed as 4,5-Dicaffeoylquinic acid (Isochlorogenic acid C)

4,5-Dicaffeoylquinic acid (Isochlorogenic acid C) (Isochlorogenic acid C) is an antioxidant, can be isolated from Gynura divaricata and Laggera alata

ChemicalCAS57378-72-0MW516.45FormulaC25H24O12
CAS number
57378-72-0
Molecular weight
516.45
Formula
C25H24O12
Solubility
DMSO : 50 mg/mL (96·81 mM)
InChIKey
UFCLZKMFXSILNL-GCBRTHAASA-N
Catalogue number
GC33912
Brand
GLPBIO
Computed properties PubChem CID 460890 · XLogP 1.5 · TPSA 211 Ų · H-bond donors 7
XLogP
1.5
TPSA
211 Ų
H-bond donors
7
H-bond acceptors
12
Rotatable bonds
9
Heavy atoms
37

SMILES C1[C@H]([C@@H]([C@@H](C[C@]1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

Computed descriptors from PubChem (CID 460890), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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