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Chemical structure of Triumbelletin

GC75167

Triumbelletin

Also known as 7-hydroxy-8-(7-hydroxy-2-oxochromen-8-yl)-3-(2-oxochromen-7-yl)oxychromen-2-one

Triumbelletin is a tricoumarin rhamnopyranoside that can be found in Daphne mezereum

ChemicalCAS131559-54-1MW482.39FormulaC27H14O9
CAS number
131559-54-1
Molecular weight
482.39
Formula
C27H14O9
Solubility
Methanol: 2·2 mg/mL (4·56 mM; Need ultrasonic and warming)
InChIKey
GDHDMCIEKMVPIP-UHFFFAOYSA-N
Catalogue number
GC75167
Brand
GLPBIO
Computed properties PubChem CID 14213530 · XLogP 4.5 · TPSA 129 Ų · H-bond donors 2
XLogP
4.5
TPSA
129 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
3
Heavy atoms
36

SMILES C1=CC(=CC2=C1C=CC(=O)O2)OC3=CC4=C(C(=C(C=C4)O)C5=C(C=CC6=C5OC(=O)C=C6)O)OC3=O

Computed descriptors from PubChem (CID 14213530), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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