(2S,3R,4R)-3,4-Bis(1,3-Benzodioxol-5-Ylmethyl)Tetrahydro-2-Furanol

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Properties Simple | Detailed

Formula C20H20O6
IUPAC Name (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol
Molecular Mass 356.369 g·mol−1
Heat of Formation -758.5 ± 16.7 kJ·mol−1
Dipole Moment 2.53 ± 1.08 D
Volume 409.5 Å 3
Surface Area 354.83 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 2.80 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-cubebin
  • (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)-2-tetrahydrofuranol
  • (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
  • (2s,3r,4r)-3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydrofuran-2-ol
  • .beta.-cubebin
  • 2-furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-
  • 2-furanol, 3,4-bis(1,3-benzodioxol-5-ylmethyl)tetrahydro-, (2s,3r,4r)-
  • 2-furanol, tetrahydro-3,4-dipiperonyl-
  • cubebin
  • cubebine
  • tetrahydro-3,4-dipiperonylfuran-2-ol
CAS Number(s)
  • 18423-69-3
InChIKey DIYWRNLYKJKHAM-MDOVXXIYSA-N
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