496775-61-2 Purity
99.73%
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Specification
PubChem CID 4534
The molecular formula is C18H22O4.
The molecular weight is 302.4 g/mol.
The IUPAC name is 4-[4-(3,4-dihydroxyphenyl)-2,3-dimethylbutyl]benzene-1,2-diol.
The synonyms include NORDIHYDROGUAIARETIC ACID, NDGA, Dihydronorguaiaretic acid, Actinex, and more.
The InChI is InChI=1S/C18H22O4/c1-11(7-13-3-5-15(19)17(21)9-13)12(2)8-14-4-6-16(20)18(22)10-14/h3-6,9-12,19-22H,7-8H2,1-2H3.
The InChIKey is HCZKYJDFEPMADG-UHFFFAOYSA-N.
The other identifiers include CAS numbers (500-38-9, 27686-84-6, 1413-68-9), ChEMBL ID (CHEMBL52), DSSTox Substance ID (DTXSID5022437), KEGG ID (C10719), and more.
The XLogP3-AA value is 4.3.
The hydrogen bond donor count is 4.
Reference: [1] Process Biochemistry, 2011, vol. 46, # 1, p. 418 - 422
Reference: [1]Journal of the American Pharmaceutical Association (1912),1948,vol. 37,p. 194
Reference: [1]Bioscience, Biotechnology and Biochemistry,1992,vol. 56,p. 1162 - 1163
* For details of the synthesis route, please refer to the original source to ensure accuracy.