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Substance Name: Orobol 7-O-glucoside
RN: 20486-33-3
InChIKey: WJHSRFQBVYHKKL-NLXYUYROSA-N

Molecular Formula

  • C21-H20-O11

Molecular Weight

  • 448.378
 
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Names and Synonyms

Results Name

  • Orobol 7-O-glucoside

Synonyms

  • 3',4',5,7-Tetrahydroxyisoflavone 7beta-D-glucopyranoside
  • Orobol 7-O-beta-D-glucoside
  • Orobol 7beta-D-glucopyranoside

Systematic Name

  • 4H-1-Benzopyran-4-one, 3-(3,4-dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-

Registry Numbers

CAS Registry Number

  • 20486-33-3

Other Registry Numbers

  • 101915-32-6
  • 30965-73-2

System Generated Number

  • 0020486333

Structure Descriptors

InChI

1S/C21H20O11/c22-6-15-18(27)19(28)20(29)21(32-15)31-9-4-13(25)16-14(5-9)30-7-10(17(16)26)8-1-2-11(23)12(24)3-8/h1-5,7,15,18-25,27-29H,6H2/t15-,18-,19?,20-,21-/m1/s1

InChIKey

WJHSRFQBVYHKKL-NLXYUYROSA-N

Smiles

O1[C@H]([C@@H]([C@@H](O)[C@@H]([C@H]1CO)O)O)Oc1cc2occ(c3ccc(c(c3)O)O)c(c2c(c1)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 0.350 (none)   EST
Water Solubility 100 mg/L 18 EXP
Atmospheric OH Rate Constant 2.93E-10 cm3/molecule-sec 25 EST

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