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Chemical structure of 3,3'-Di-O-methylellagic acid

GC35103

3,3'-Di-O-methylellagic acid

Also known as 6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione

3,3'-Di-O-methylellagic acid obtained from Euphorbia adenochlora selectively inhibits the formation of acid-fastness in mycobacteria without retardation of their growth

ChemicalCAS2239-88-5MW330.25FormulaC16H10O8
CAS number
2239-88-5
Molecular weight
330.25
Formula
C16H10O8
Solubility
Soluble in DMSO
InChIKey
KLAGYIBJNXLDTL-UHFFFAOYSA-N
Catalogue number
GC35103
Brand
GLPBIO
Computed properties PubChem CID 5488919 · XLogP 1.8 · TPSA 112 Ų · H-bond donors 2
XLogP
1.8
TPSA
112 Ų
H-bond donors
2
H-bond acceptors
8
Rotatable bonds
2
Heavy atoms
24

SMILES COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O

Computed descriptors from PubChem (CID 5488919), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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