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Chemical structure of 4aα,7α,7aα-Nepetalactone

GC64317

4aα,7α,7aα-Nepetalactone

Also known as (4aS,7S,7aR)-4,7-dimethyl-5,6,7,7a-tetrahydro-4aH-cyclopenta[c]pyran-1-one

4aα,7α,7aα-Nepetalactone exhibits antibacterial activity, and inhibits Escherichia coli, Pseudomonas aeruginosa, Staphylococcus aureus, Salmonella typhi and Enterococcus faecalis

ChemicalCAS21651-62-7MW166.22FormulaC10H14O2
CAS number
21651-62-7
Molecular weight
166.22
Formula
C10H14O2
Solubility
DMSO : 100 mg/mL (601·61 mM; Need ultrasonic)
InChIKey
ZDKZHVNKFOXMND-NBEYISGCSA-N
Catalogue number
GC64317
Brand
GLPBIO
Computed properties PubChem CID 161367 · XLogP 1.9 · TPSA 26.3 Ų · H-bond donors 0
XLogP
1.9
TPSA
26.3 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12

SMILES C[C@H]1CC[C@H]2[C@@H]1C(=O)OC=C2C

Computed descriptors from PubChem (CID 161367), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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