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Chemical structure of 4-O-Galloylalbiflorin

GC76246

4-O-Galloylalbiflorin

Also known as [(3R,4R)-9-(benzoyloxymethyl)-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-4-yl] 3,4,5-trihydroxybenzoate

4-O-Galloylalbiflorin is a natural product that can be derived from the root of Paeonia lactiflora pall

ChemicalCAS1201580-97-3MW632.57FormulaC30H32O15
CAS number
1201580-97-3
Molecular weight
632.57
Formula
C30H32O15
Solubility
Methanol： 6·4 mg/mL (10·12 mM; Need ultrasonic and warming)
InChIKey
UXHIYEMICNYJGK-NJVRKBDPSA-N
Catalogue number
GC76246
Brand
GLPBIO
Computed properties PubChem CID 135397096 · XLogP 0.2 · TPSA 239 Ų · H-bond donors 7
XLogP
0.2
TPSA
239 Ų
H-bond donors
7
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
45

SMILES CC12C[C@H]([C@@H]3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)OC(=O)C6=CC(=C(C(=C6)O)O)O

Computed descriptors from PubChem (CID 135397096), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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