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Chemical structure of cis-Ferulic acid 4-O-β-D-glucopyranoside

GC76270

cis-Ferulic acid 4-O-β-D-glucopyranoside

Also known as (Z)-3-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]prop-2-enoic acid

cis-Ferulic acid 4-O-β-D-glucopyranoside (compound 7) is a phenolic glycosid, which can be isolated from Nitraria sibirica

ChemicalCAS94942-20-8MW356.32FormulaC16H20O9
CAS number
94942-20-8
Molecular weight
356.32
Formula
C16H20O9
Solubility
DMSO： 3·5 mg/mL (9·82 mM; Need ultrasonic and warming)
InChIKey
IEMIRSXOYFWPFD-QEQKPWIDSA-N
Catalogue number
GC76270
Brand
GLPBIO
Computed properties PubChem CID 9820054 · XLogP -1.1 · TPSA 146 Ų · H-bond donors 5
XLogP
-1.1
TPSA
146 Ų
H-bond donors
5
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
25

SMILES COC1=C(C=CC(=C1)/C=C\C(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O

Computed descriptors from PubChem (CID 9820054), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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