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Chemical structure of Trifolirhizin

GC38166

Trifolirhizin

Also known as (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(1R,12R)-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-2,4(8),9,13(18),14,16-hexaen-16-yl]oxy]oxane-3,4,5-triol

Trifolirhizin is a pterocarpan flavonoid isolated from the roots of Sophora flavescens

ChemicalCAS6807-83-6MW446.4FormulaC22H22O10
CAS number
6807-83-6
Molecular weight
446.4
Formula
C22H22O10
Solubility
DMSO ： 100 mg/mL (224·01 mM; Need ultrasonic)
InChIKey
VGSYCWGXBYZLLE-QEEQPWONSA-N
Catalogue number
GC38166
Brand
GLPBIO
Computed properties PubChem CID 442827 · XLogP 0.6 · TPSA 136 Ų · H-bond donors 4
XLogP
0.6
TPSA
136 Ų
H-bond donors
4
H-bond acceptors
10
Rotatable bonds
3
Heavy atoms
32

SMILES C1[C@@H]2[C@H](C3=C(O1)C=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)OC5=CC6=C(C=C25)OCO6

Computed descriptors from PubChem (CID 442827), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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