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Chemical structure of Trilobatin

GC41374

Trilobatin

Also known as 1-[2,6-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3-(4-hydroxyphenyl)propan-1-one

Trilobatin is a dihydrochalcone glucoside and derivative of phloretin that has been found in Rooibos (A

ChemicalCAS4192-90-9MW436.4FormulaC21H24O10
CAS number
4192-90-9
Molecular weight
436.4
Formula
C21H24O10
Solubility
DMF： 20 mg/ml,DMSO： 25 mg/ml,Ethanol： 20 mg/ml,PBS (pH 7·2)： 0·1 mg/ml
InChIKey
GSTCPEBQYSOEHV-QNDFHXLGSA-N
Catalogue number
GC41374
Brand
GLPBIO
Computed properties PubChem CID 6451798 · XLogP 1.2 · TPSA 177 Ų · H-bond donors 7
XLogP
1.2
TPSA
177 Ų
H-bond donors
7
H-bond acceptors
10
Rotatable bonds
7
Heavy atoms
31

SMILES C1=CC(=CC=C1CCC(=O)C2=C(C=C(C=C2O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O

Computed descriptors from PubChem (CID 6451798), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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Pricing
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Documents
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