Dendronobiloside B

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Properties Simple | Detailed

Formula C21H38O8
IUPAC Name (2r,3r,4s,5s,6r)-2-[[(1r,3ar,4r,5r,7as)-1-hydroxy-1-(hydroxymethyl)-5-isopropyl-7a-methyl-3,3a,4,5,6,7-hexahydro-2h-inden-4-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 418.522 g·mol−1
Heat of Formation -1688.8 ± 16.7 kJ·mol−1
Dipole Moment 2.30 ± 1.08 D
Volume 519.94 Å 3
Surface Area 413.66 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,4s,5s,6r)-2-[[(1r,3ar,4r,5r,7as)-1-hydroxy-1-(hydroxymethyl)-5-isopropyl-7a-methyl-3,3a,4,5,6,7-hexahydro-2h-inden-4-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,3ar,4r,5r,7as)-1-hydroxy-1-(hydroxymethyl)-7a-methyl-5-propan-2-yl-3,3a,4,5,6,7-hexahydro-2h-inden-4-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
  • (2r,3r,4s,5s,6r)-2-[[(1r,3ar,4r,5r,7as)-1-hydroxy-5-isopropyl-7a-methyl-1-methylol-3,3a,4,5,6,7-hexahydro-2h-inden-4-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol
InChIKey NSBVLCNEJFYMMI-MQXSHROSSA-N
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