(2S)-1-[(1R,2S)-1,11-Dihydroxy-2-Isopropenyl-5-Methyl-12-Oxo-1,2,3,12-Tetrahydropyrano[3,2-A]Xanthen-8-Yl]-3-Hydroxy-3-Methyl-2-Butanyl Formate

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Properties Simple | Detailed

Formula C26H28O8
IUPAC Name [(1s)-1-[[(1r,2s)-1,11-dihydroxy-2-isopropenyl-5-methyl-12-oxo-2,3-dihydro-1h-pyrano[3,2-a]xanthen-8-yl]methyl]-2-hydroxy-2-methyl-propyl] formate
Molecular Mass 468.496 g·mol−1
Heat of Formation -1289.7 ± 16.7 kJ·mol−1
Dipole Moment 3.18 ± 1.08 D
Volume 541.75 Å 3
Surface Area 438.93 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy 1.77 ± eV
Point Group Symmetry C1
Synonyms
  • [(1s)-1-[[(1r,2s)-1,11-dihydroxy-2-isopropenyl-5-methyl-12-oxo-2,3-dihydro-1h-chromeno[6,5-b]chromen-8-yl]methyl]-2-hydroxy-2-methyl-propyl] formate
  • [(2s)-1-[(1r,2s)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1h-chromeno[6,5-b]chromen-8-yl]-3-hydroxy-3-methyl-butan-2-yl] methanoate
  • [(2s)-1-[(1r,2s)-1,11-dihydroxy-5-methyl-12-oxo-2-prop-1-en-2-yl-2,3-dihydro-1h-chromeno[6,5-b]chromen-8-yl]-3-hydroxy-3-methylbutan-2-yl] formate
  • formic acid [(1s)-1-[[(1r,2s)-1,11-dihydroxy-2-isopropenyl-12-keto-5-methyl-2,3-dihydro-1h-chromeno[6,5-b]chromen-8-yl]methyl]-2-hydroxy-2-methyl-propyl] ester
  • formic acid [(1s)-1-[[(1r,2s)-1,11-dihydroxy-2-isopropenyl-5-methyl-12-oxo-2,3-dihydro-1h-chromeno[6,5-b]chromen-8-yl]methyl]-2-hydroxy-2-methylpropyl] ester
InChIKey GOKVXLNHAYUYGV-FXCLAUTBSA-N
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