(3β,5β,7β,11β)-3-[(2,6-Dideoxy-3-O-Methyl-β-D-Ribo-Hexopyranosyl)Oxy]-11,14-Dihydroxy-12-Oxo-7,8-Epoxycard-20(22)-Enolide

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Properties Simple | Detailed

Formula C30H36O10
IUPAC Name (3beta,5beta,7beta,11beta)-3-[(2,6-dideoxy-3-o-methyl-β-d-ribo-hexopyranosyl)oxy]-11,14-dihydroxy-12-oxo-7,8-epoxycard-20(22)-enolide
Molecular Mass 556.601 g·mol−1
Heat of Formation -1674.4 ± 16.7 kJ·mol−1
Dipole Moment 7.03 ± 1.08 D
Volume 645.19 Å 3
Surface Area 484.52 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • 7,8-epoxysinogenin 3-methylglycosides
  • 7,8-esmg
  • 7,8beta-epoxysinogenin 3alpha-(d-methylglycoside)
CAS Number(s)
  • 118004-72-1
InChIKey HGZQTHMHTBGLMG-HEVFXZARSA-N
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