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Chemical structure of Linderene acetate

GC38991

Linderene acetate

Also known as [(1S,2R,9S,10R,12S)-4,9-dimethyl-13-methylidene-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-3(7),4-dien-2-yl] acetate

Linderene acetate, isolated from the root of Lindera strychnifolia, is a prolyl endopeptidase inhibitor

ChemicalCAS26146-28-1MW272.34FormulaC17H20O3
CAS number
26146-28-1
Molecular weight
272.34
Formula
C17H20O3
Solubility
Soluble in DMSO
InChIKey
ICLTVELXFUIGLS-FBHBFLDISA-N
Catalogue number
GC38991
Brand
GLPBIO
Computed properties PubChem CID 497204 · XLogP 2.7 · TPSA 39.4 Ų · H-bond donors 0
XLogP
2.7
TPSA
39.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
20

SMILES CC1=COC2=C1[C@@H]([C@H]3C(=C)[C@H]4C[C@H]4[C@@]3(C2)C)OC(=O)C

Computed descriptors from PubChem (CID 497204), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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