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Chemical structure of 5-O-Caffeoylshikimic acid

GC64610

5-O-Caffeoylshikimic acid

Also known as (3R,4R,5R)-5-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid

5-O-Caffeoylshikimic acid can be used in the study for NSCLC

ChemicalCAS73263-62-4MW336.29FormulaC16H16O8
CAS number
73263-62-4
Molecular weight
336.29
Formula
C16H16O8
InChIKey
QMPHZIPNNJOWQI-GDDAOPKQSA-N
Catalogue number
GC64610
Brand
GLPBIO
Computed properties PubChem CID 5281762 · XLogP 0.2 · TPSA 145 Ų · H-bond donors 5
XLogP
0.2
TPSA
145 Ų
H-bond donors
5
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
24

SMILES C1[C@H]([C@@H]([C@@H](C=C1C(=O)O)O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O

Computed descriptors from PubChem (CID 5281762), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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