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Chemical structure of Oxyimperatorin

GC60280

Oxyimperatorin

Also known as 9-[(3,3-dimethyloxiran-2-yl)methoxy]furo[3,2-g]chromen-7-one

Oxyimperatorin ((±)-Heraclenin) is a coumarin isolated from Angelica dahurica

ChemicalCAS35740-18-2MW286.28FormulaC16H14O5
CAS number
35740-18-2
Molecular weight
286.28
Formula
C16H14O5
Solubility
DMSO ： 100 mg/mL (349·31 mM; Need ultrasonic)
InChIKey
CTJZWFCPUDPLME-UHFFFAOYSA-N
Catalogue number
GC60280
Brand
GLPBIO
Computed properties PubChem CID 182251 · XLogP 2.2 · TPSA 61.2 Ų · H-bond donors 0
XLogP
2.2
TPSA
61.2 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

SMILES CC1(C(O1)COC2=C3C(=CC4=C2OC=C4)C=CC(=O)O3)C

Computed descriptors from PubChem (CID 182251), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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