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Chemical structure of 10-Isobutyryloxy-8,9-epoxythymol isobutyrate

GC35043

10-Isobutyryloxy-8,9-epoxythymol isobutyrate

Also known as [2-[4-methyl-2-(2-methylpropanoyloxy)phenyl]oxiran-2-yl]methyl 2-methylpropanoate

10-Isobutyryloxy-8,9-epoxythymol isobutyrate is a major constituent of Inula helenium and Inula royleana root cultures

ChemicalCAS22518-06-5MW320.38FormulaC18H24O5
CAS number
22518-06-5
Molecular weight
320.38
Formula
C18H24O5
Solubility
Soluble in DMSO
InChIKey
OLARKEMZPWGFJU-UHFFFAOYSA-N
Catalogue number
GC35043
Brand
GLPBIO
Computed properties PubChem CID 11472669 · XLogP 3.3 · TPSA 65.1 Ų · H-bond donors 0
XLogP
3.3
TPSA
65.1 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
23

SMILES CC1=CC(=C(C=C1)C2(CO2)COC(=O)C(C)C)OC(=O)C(C)C

Computed descriptors from PubChem (CID 11472669), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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