(2S,3E)-4-[(1S)-1-Hydroxy-2-(Hydroxymethyl)-6,6-Dimethyl-4-Oxo-2-Cyclohexen-1-Yl]-3-Buten-2-Yl α-L-Talopyranoside

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Properties Simple | Detailed

Formula C19H30O9
IUPAC Name (4s)-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-4-[(e,3s)-3-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
Molecular Mass 402.436 g·mol−1
Heat of Formation -1684.2 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 471.12 Å 3
Surface Area 370.82 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2e)-3-[(1r)-1-hydroxy-2-(hydroxymethyl)-6,6-dimethyl-4-oxocyclohex-2-en-1-yl]-1-methylprop-2-en-1-yl rel-hexopyranoside
  • (4s)-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-4-[(e,3s)-3-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-4-[(e,3s)-3-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (4s)-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-4-[(e,3s)-3-[[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-tetrahydropyranyl]oxy]but-1-enyl]-1-cyclohex-2-enone
  • (4s)-4-hydroxy-5,5-dimethyl-3-methylol-4-[(e,3s)-3-[(2r,3r,4r,5s,6s)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxybut-1-enyl]cyclohex-2-en-1-one
  • (6s,9s)-6-hydroxyinamoside ((-)-(6s,9s)-9-o-beta-d-glucopyranosyloxy-6,13-dihydroxy-3-oxo-alpha-ionol
  • 2-cyclohexen-1-one, 4-[(1e,3s)-3-(hexopyranosyloxy)-1-butenyl]-4-hydroxy-3-(hydroxymethyl)-5,5-dimethyl-, (4s)-
  • 4-hydroxy-3-hydroxymethyl-5,5-dimethyl-4-[3-(3,4,5-trihydroxy-6-hydroxymethyl-tetrahydro-pyran-2-yloxy)-but-1-enyl]-cyclohex-2-enone
InChIKey STLXSEIODIBOIC-AIDCFVFJSA-N
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