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Chemical structure of Quadrone

GC41341

Quadrone

Also known as 13,13-dimethyl-7-oxatetracyclo[7.5.0.01,5.02,12]tetradecane-4,8-dione

Quadrone is a sesquiterpene originally isolated from A

ChemicalCAS66550-08-1MW248.3FormulaC15H20O3
CAS number
66550-08-1
Molecular weight
248.3
Formula
C15H20O3
Solubility
Soluble in DMSO
InChIKey
BBIDMUQZCCGABN-UHFFFAOYSA-N
Catalogue number
GC41341
Brand
GLPBIO
Computed properties PubChem CID 197204 · XLogP 2.2 · TPSA 43.4 Ų · H-bond donors 0
XLogP
2.2
TPSA
43.4 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
18

SMILES CC1(CC23C4CCC1C2CC(=O)C3COC4=O)C

Computed descriptors from PubChem (CID 197204), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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