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Chemical structure of Paeoniflorgenin

GC61165

Paeoniflorgenin

Also known as [(1R,2S,3R,5R,6R,8S)-3,6-dihydroxy-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decan-2-yl]methyl benzoate

Paeoniflorgenin is a deglucosylated metabolite of Paeoniflorin

ChemicalCAS697300-41-7MW318.32FormulaC17H18O6
CAS number
697300-41-7
Molecular weight
318.32
Formula
C17H18O6
InChIKey
GWQHMWOOQLVRLG-JGAAPJFWSA-N
Catalogue number
GC61165
Brand
GLPBIO
Computed properties PubChem CID 11973336 · XLogP 0.6 · TPSA 85.2 Ų · H-bond donors 2
XLogP
0.6
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
23

SMILES C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)COC(=O)C5=CC=CC=C5)O)O

Computed descriptors from PubChem (CID 11973336), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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