Cas no 649551-44-0 (4H-1-Benzopyran-4-one, 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)-)
649551-44-0 structure
Product Name:4H-1-Benzopyran-4-one, 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)-
CAS No:649551-44-0
MF:C17H14O6
MW:314.289465427399
CID:411512
PubChem ID:24802625
Update Time:2025-04-19
4H-1-Benzopyran-4-one, 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
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- 4H-1-Benzopyran-4-one, 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)-
- 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
- SCHEMBL3339004
- 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)-4h-1-benzopyran-4-one
- DKLDXUIAHRMKGO-UHFFFAOYSA-N
- 7-Ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
- 649551-44-0
- DTXSID80647396
- 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxy-phenyl)-chromen-4-one
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- Inchi： 1S/C17H14O6/c1-2-8-3-4-10-13(5-8)23-17(16(22)14(10)20)9-6-11(18)15(21)12(19)7-9/h3-7,18-19,21-22H,2H2,1H3
- InChI Key： DKLDXUIAHRMKGO-UHFFFAOYSA-N
- SMILES： O1C(=C(C(C2C=CC(CC)=CC1=2)=O)O)C1C=C(C(=C(C=1)O)O)O
Computed Properties
- Exact Mass: 314.07902
- Monoisotopic Mass: 314.07903816g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 23
- Rotatable Bond Count: 2
- Complexity: 489
- 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: 2.8
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.22
4H-1-Benzopyran-4-one, 7-ethyl-3-hydroxy-2-(3,4,5-trihydroxyphenyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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4. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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