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Substance Name: Monotropitoside
RN: 490-67-5
UNII: 39519L80TD
InChIKey: VHUNCYDAXJGCLO-AHMNSWSSSA-N

Note

  • A natural salicylate derivative from Gaultheria yunnanensis.

Molecular Weight

  • 446.4024
 
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Names and Synonyms

Name of Substance

  • Monotropitoside

Synonyms

  • Gaultherin
  • Monotropitin
  • Monotropitosid
  • Monotropitoside
  • UNII-39519L80TD

Registry Numbers

CAS Registry Number

  • 490-67-5

FDA UNII

  • 39519L80TD

Other Registry Number

  • 16776-77-5

System Generated Number

  • 0000490675

Structure Descriptors

InChI

1S/C19H26O12/c1-27-17(26)8-4-2-3-5-10(8)30-19-16(25)14(23)13(22)11(31-19)7-29-18-15(24)12(21)9(20)6-28-18/h2-5,9,11-16,18-25H,6-7H2,1H3/t9-,11-,12+,13-,14+,15-,16-,18+,19-/m1/s1

InChIKey

VHUNCYDAXJGCLO-AHMNSWSSSA-N

Smiles

COC(=O)c1ccccc1O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 180 deg C   EXP
log P (octanol-water) -2.220 (none)   EST
Water Solubility 8.09E+04 mg/L 20 EXP
Vapor Pressure 4.96E-19 mm Hg 25 EST
Henry's Law Constant 7.02E-24 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.19E-10 cm3/molecule-sec 25 EST

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