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Chemical structure of Aristolone

GC35392

Aristolone

Also known as (1aR,7R,7aR,7bS)-1,1,7,7a-tetramethyl-1a,4,5,6,7,7b-hexahydrocyclopropa[a]naphthalen-2-one

Aristolone is a sesquiterpene isolated from Aristolochia debilis

ChemicalCAS25274-27-5MW218.33FormulaC15H22O
CAS number
25274-27-5
Molecular weight
218.33
Formula
C15H22O
Solubility
DMSO： 83·33 mg/mL (381·67 mM)
InChIKey
UGVIZCBJCSXBCJ-JWFUOXDNSA-N
Catalogue number
GC35392
Brand
GLPBIO
Computed properties PubChem CID 165536 · XLogP 3.6 · TPSA 17.1 Ų · H-bond donors 0
XLogP
3.6
TPSA
17.1 Ų
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
16

SMILES C[C@@H]1CCCC2=CC(=O)[C@@H]3[C@H]([C@@]12C)C3(C)C

Computed descriptors from PubChem (CID 165536), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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