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Chemical structure of Mexoticin

GC61059

Mexoticin

Also known as 8-[(2R)-2,3-dihydroxy-3-methylbutyl]-5,7-dimethoxychromen-2-one

Mexoticin is a naturally occurring coumarin that can be isolated from the leaves of Murraya omphalocarpa

ChemicalCAS18196-00-4MW308.33FormulaC16H20O6
CAS number
18196-00-4
Molecular weight
308.33
Formula
C16H20O6
Solubility
DMSO ： 100 mg/mL (324·33 mM; Need ultrasonic)
InChIKey
JVCJUTNJQMKKCK-CYBMUJFWSA-N
Catalogue number
GC61059
Brand
GLPBIO
Computed properties PubChem CID 176970 · XLogP 1.4 · TPSA 85.2 Ų · H-bond donors 2
XLogP
1.4
TPSA
85.2 Ų
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

SMILES CC(C)([C@@H](CC1=C(C=C(C2=C1OC(=O)C=C2)OC)OC)O)O

Computed descriptors from PubChem (CID 176970), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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