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Chemical structure of Decursinol angelate

GC41151

Decursinol angelate

Also known as [(3S)-2,2-dimethyl-8-oxo-3,4-dihydropyrano[3,2-g]chromen-3-yl] (Z)-2-methylbut-2-enoate

Decursinol angelate is a pyranocoumarin that has been found in the Korean medicinal herb A

ChemicalCAS130848-06-5MW328.4FormulaC19H20O5
CAS number
130848-06-5
Molecular weight
328.4
Formula
C19H20O5
Solubility
DMF： 10 mg/ml,DMF：PBS(pH 7·2)(1：1)： 0·5 mg/ml,DMSO： 2 mg/ml,Ethanol： 1 mg/ml
InChIKey
AGABNGOXUSXQDD-XKGFZTIGSA-N
Catalogue number
GC41151
Brand
GLPBIO
Computed properties PubChem CID 776123 · XLogP 3.7 · TPSA 61.8 Ų · H-bond donors 0
XLogP
3.7
TPSA
61.8 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES C/C=C(/C)\C(=O)O[C@H]1CC2=C(C=C3C(=C2)C=CC(=O)O3)OC1(C)C

Computed descriptors from PubChem (CID 776123), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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