Cas no 52600-48-3 (2,3-Dimethoxyellagic acid)
2,3-Dimethoxyellagic acid structure
Product Name:2,3-Dimethoxyellagic acid
CAS No:52600-48-3
MF:C16H10O8
MW:330.245805263519
CID:2022785
PubChem ID:5316858
Update Time:2025-04-21
2,3-Dimethoxyellagic acid Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Dimethoxyellagic acid
- 3,4-di-O-methylellagic acid
- ellagic acid 3,4-dimethyl ether
- 6,7-dihydroxy-13,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione
- 13,14-dihydroxy-6,7-dimethoxy-2,9-dioxatetracyclo[6.6.2.0^{4,16}.0^{11,15}]hexadeca-1(15),4(16),5,7,11,13-hexaene-3,10-dione
- SCHEMBL940860
- 2,3-Di-O-methylellagic acid
- DTXSID301309848
- 52600-48-3
- CHEBI:175201
-
- Inchi： 1S/C16H10O8/c1-21-8-4-6-10-9-5(15(19)24-14(10)12(8)22-2)3-7(17)11(18)13(9)23-16(6)20/h3-4,17-18H,1-2H3
- InChI Key： DMPZOHHHRRENRS-UHFFFAOYSA-N
- SMILES： O1C(C2C=C(C(=C3C=2C2=C1C(=C(C=C2C(=O)O3)OC)OC)O)O)=O
Computed Properties
- Exact Mass: 330.03756727g/mol
- Monoisotopic Mass: 330.03756727g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 24
- Rotatable Bond Count: 2
- Complexity: 550
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.8
- Topological Polar Surface Area: 112?2
2,3-Dimethoxyellagic acid Related Literature
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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