[(4S)-4-Isopropenyl-1-Cyclohexen-1-Yl]Methyl β-D-Glucopyranoside

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Formula C16H26O6
IUPAC Name (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(4s)-4-isopropenylcyclohexen-1-yl]methoxy]tetrahydropyran-3,4,5-triol
Molecular Mass 314.374 g·mol−1
Heat of Formation -1074.8 ± 16.7 kJ·mol−1
Dipole Moment 1.07 ± 1.08 D
Volume 390.51 Å 3
Surface Area 343.46 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(4s)-4-isopropenyl-1-cyclohexenyl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(4s)-4-isopropenyl-1-cyclohexenyl]methoxy]tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5r,6r)-2-(hydroxymethyl)-6-[[(4s)-4-prop-1-en-2-yl-1-cyclohexenyl]methoxy]oxane-3,4,5-triol
  • beta-d-glucopyranoside, (4-(1-methylethenyl)-1-cyclohexen-1-yl)methyl
  • perilloside a
CAS Number(s)
  • 141206-20-4
InChIKey YUTAFQVKXLDYFG-YTQIUSBHSA-N
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