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Substance Name: Fustin
RN: 20725-03-5
UNII: 4994C1X19A
InChIKey: FNUPUYFWZXZMIE-LSDHHAIUSA-N

Molecular Formula

  • C15-H12-O6

Molecular Weight

  • 288.2538
 
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Names and Synonyms

Name of Substance

  • Fustin

Synonyms

  • 2,3-Dihydrofisetin
  • 3,7,3',4'-Tetrahydroxyflavanone
  • Dihydrofisetin
  • EINECS 243-989-6
  • Fustin
  • NSC 59264
  • Tetrahydroxyflavanone
  • UNII-4994C1X19A

Systematic Names

  • 4H-1-Benzopyran-4-one, 2-(3,4-dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-, trans- (9CI)
  • Flavanone, 3,3',4',7-tetrahydroxy- (VAN) (8CI)
  • trans-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,7-dihydroxy-4-benzopyrone

Registry Numbers

CAS Registry Number

  • 20725-03-5

FDA UNII

  • 4994C1X19A

System Generated Number

  • 0020725035

Structure Descriptors

InChI

1S/C15H12O6/c16-8-2-3-9-12(6-8)21-15(14(20)13(9)19)7-1-4-10(17)11(18)5-7/h1-6,14-18,20H/t14-,15+/m0/s1

InChIKey

FNUPUYFWZXZMIE-LSDHHAIUSA-N

Smiles

O[C@@H]1[C@H](Oc2cc(O)ccc2C1=O)c3ccc(O)c(O)c3

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 226-228 deg C   EXP
log P (octanol-water) 0.87 (none)   EXP
Water Solubility 3.19E+04 mg/L 25 EST
Vapor Pressure 2.46E-12 mm Hg 25 EST
Henry's Law Constant 3.63E-21 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.53E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.