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Chemical structure of Debenzoylpaeoniflorgenin

GC60745

Debenzoylpaeoniflorgenin

Also known as (1R,2S,3R,5R,6R,8S)-2-(hydroxymethyl)-8-methyl-9,10-dioxatetracyclo[4.3.1.02,5.03,8]decane-3,6-diol

Debenzoylpaeoniflorgenin is a natural compound from Paeonial lactiflora in Guizhitang

ChemicalCAS1429403-79-1MW214.22FormulaC10H14O5
CAS number
1429403-79-1
Molecular weight
214.22
Formula
C10H14O5
InChIKey
RHKVYLDCYDYZMU-MHCVYJKHSA-N
Catalogue number
GC60745
Brand
GLPBIO
Computed properties PubChem CID 162642259 · XLogP -1.1 · TPSA 79.2 Ų · H-bond donors 3
XLogP
-1.1
TPSA
79.2 Ų
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

SMILES C[C@]12C[C@@]3([C@@H]4C[C@]1([C@@]4([C@H](O2)O3)CO)O)O

Computed descriptors from PubChem (CID 162642259), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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