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Substance Name: Hematein
RN: 475-25-2
UNII: 88Q1SYD10B
InChIKey: HLUCICHZHWJHLL-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C16-H12-O6

Molecular Weight

  • 300.265
 
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Names and Synonyms

Name of Substance

  • Hematein

Synonyms

  • 3,4,6a,10-Tetrahydroxy-6a,7-dihydrobenz(b)indeno(1,2-d)pyran-9(6H)-one
  • 4-18-00-03343 (Beilstein Handbook Reference)
  • AI3-63013
  • BRN 0093039
  • EINECS 207-492-8
  • Haematein
  • Hematein
  • Hematine
  • NSC 7333
  • UNII-88Q1SYD10B

Systematic Names

  • 6a,7-Dihydro-3,4,6a,10-tetrahydroxybenz(b)indeno(1,2-d)pyran-9(6H)-one
  • Benz(b)indeno(1,2-d)pyran-9(6H)-one, 6a,7-dihydro-3,4,6a,10-tetrahydroxy-

Registry Numbers

CAS Registry Number

  • 475-25-2

FDA UNII

  • 88Q1SYD10B

Other Registry Number

  • 53986-81-5

System Generated Number

  • 0000475252

Structure Descriptors

InChI

1S/C16H12O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,17,19-21H,5-6H2

InChIKey

HLUCICHZHWJHLL-UHFFFAOYSA-N

Smiles

C12=C3C(=CC(=O)C(=C3)O)C[C@@]2(COc2c1ccc(c2O)O)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 250 dec deg C   EXP
log P (octanol-water) -0.070 (none)   EST
Water Solubility 600 mg/L 20 EXP
Atmospheric OH Rate Constant 3.22E-10 cm3/molecule-sec 25 EST

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