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Chemical structure of 2,7-Dimethoxy-6-(1-acetoxyethyl)juglone

GC40133

2,7-Dimethoxy-6-(1-acetoxyethyl)juglone

Also known as 1-(1-hydroxy-3,6-dimethoxy-5,8-dioxonaphthalen-2-yl)ethyl acetate

2,7-Dimethoxy-6-(1-acetoxyethyl)juglone is a naphthoquinone derivative originally isolated from the fungus H

ChemicalCAS68594-15-0MW320.3FormulaC16H16O7
CAS number
68594-15-0
Molecular weight
320.3
Formula
C16H16O7
Solubility
Dichloromethane: soluble,DMSO: soluble,Ethanol: soluble,Methanol: soluble
InChIKey
SNIIQTSBSNAYGY-UHFFFAOYSA-N
Catalogue number
GC40133
Brand
GLPBIO
Computed properties PubChem CID 15061191 · XLogP 1.9 · TPSA 99.1 Ų · H-bond donors 1
XLogP
1.9
TPSA
99.1 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
23

SMILES CC(C1=C(C=C2C(=C1O)C(=O)C=C(C2=O)OC)OC)OC(=O)C

Computed descriptors from PubChem (CID 15061191), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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