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Chemical structure of 8,9-Epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol

GC35198

8,9-Epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol

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

8,9-Epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol is a chemical composition of essential oils from Telekia speciosa· 8,9-Epoxy-3-isobutyryloxy-10-(2-methylbutanoyl)thymol also shows marked antipro-liferative activity against human cancer cell lines in vitro

ChemicalCAS22518-07-6MW334.41FormulaC19H26O5
CAS number
22518-07-6
Molecular weight
334.41
Formula
C19H26O5
Solubility
Soluble in DMSO
InChIKey
DBEFONQGRSUFQO-UHFFFAOYSA-N
Catalogue number
GC35198
Brand
GLPBIO
Computed properties PubChem CID 354159 · XLogP 3.7 · TPSA 65.1 Ų · H-bond donors 0
XLogP
3.7
TPSA
65.1 Ų
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
24

SMILES CCC(C)C(=O)OCC1(CO1)C2=C(C=C(C=C2)C)OC(=O)C(C)C

Computed descriptors from PubChem (CID 354159), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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