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Substance Name: Cubebin
RN: 18423-69-3
UNII: J237078S8A
InChIKey: DIYWRNLYKJKHAM-MDOVXXIYSA-N

Molecular Formula

  • C20-H20-O6

Molecular Weight

  • 356.372
 
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Names and Synonyms

Name of Substance

  • Cubebin

Synonyms

  • AI3-62265
  • EINECS 242-300-6
  • UNII-J237078S8A

Systematic Names

  • 2-Furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-
  • Tetrahydro-3,4-dipiperonylfuran-2-ol

Registry Numbers

CAS Registry Number

  • 18423-69-3

FDA UNII

  • J237078S8A

System Generated Number

  • 0018423693

Structure Descriptors

InChI

1S/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2/t14-,15+,20-/m0/s1

InChIKey

DIYWRNLYKJKHAM-MDOVXXIYSA-N

Smiles

c12ccc(cc2OCO1)C[C@@H]1[C@@H](Cc2cc3c(cc2)OCO3)[C@H](OC1)O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 131.5 deg C   EXP
log P (octanol-water) 3.770 (none)   EST
Atmospheric OH Rate Constant 1.45E-10 cm3/molecule-sec 25 EST

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