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Chemical structure of Aureothin

GC42874

Aureothin

Also known as 2-methoxy-3,5-dimethyl-6-[(2R,5Z)-5-[(E)-2-methyl-3-(4-nitrophenyl)prop-2-enylidene]oxolan-2-yl]pyran-4-one

Aureothin is a natural nitroaryl-substituted polyketide that exhibits antitumor, antifungal, and insecticidal activities

ChemicalCAS2825-00-5MW397.4FormulaC22H23NO6
CAS number
2825-00-5
Molecular weight
397.4
Formula
C22H23NO6
Solubility
DMF: soluble,DMSO: soluble,Ethanol: soluble
InChIKey
OGUMLESFFBGVOO-VJDLAWOBSA-N
Catalogue number
GC42874
Brand
GLPBIO
Computed properties PubChem CID 6436188 · XLogP 4.5 · TPSA 90.6 Ų · H-bond donors 0
XLogP
4.5
TPSA
90.6 Ų
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
29

SMILES CC1=C(OC(=C(C1=O)C)OC)[C@H]2CC/C(=C/C(=C/C3=CC=C(C=C3)[N+](=O)[O-])/C)/O2

Computed descriptors from PubChem (CID 6436188), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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