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Substance Name: Asperuloside
RN: 14259-45-1
UNII: V3CFI02X39
InChIKey: IBIPGYWNOBGEMH-DILZHRMZSA-N

Molecular Formula

  • C18-H22-O11

Molecular Weight

  • 414.361
 
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Names and Synonyms

Name of Substance

  • Asperuloside

Synonyms

  • Asperuloside
  • EINECS 238-137-5
  • NSC 31760
  • UNII-V3CFI02X39

Systematic Names

  • (2aS-(2aalpha,4aalpha,5alpha,7balpha))-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent(cd)inden-4-ylmethyl acetate
  • 1H-2,6-dioxacyclopent(cd)inden-1-one, 4-((acetyloxy)methyl)-5-(beta-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-, (2aS-(2aalpha,5alpha,7balpha))-

Registry Numbers

CAS Registry Number

  • 14259-45-1

FDA UNII

  • V3CFI02X39

System Generated Number

  • 0014259451

Structure Descriptors

InChI

1S/C18H22O11/c1-6(20)25-4-7-2-9-12-8(16(24)27-9)5-26-17(11(7)12)29-18-15(23)14(22)13(21)10(3-19)28-18/h2,5,9-15,17-19,21-23H,3-4H2,1H3/t9-,10+,11+,12-,13+,14-,15+,17-,18-/m0/s1

InChIKey

IBIPGYWNOBGEMH-DILZHRMZSA-N

Smiles

C1=C(COC(=O)C)[C@@H]2[C@@H]3[C@H]1OC(C3=CO[C@H]2O[C@H]1[C@@H]([C@@H](O)[C@@H]([C@H](O1)CO)O)O)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131.5 deg C   EXP
log P (octanol-water) -3.090 (none)   EST
Atmospheric OH Rate Constant 2.03E-10 cm3/molecule-sec 25 EST

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