Virescenoside Q

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Properties Simple | Detailed

Formula C26H42O7
IUPAC Name (2r,3s,4s,5s,6r)-2-[[(1s,2s,4ar,4bs,7s,10ar)-2-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
Molecular Mass 466.607 g·mol−1
Heat of Formation -1385.6 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 582.94 Å 3
Surface Area 436.33 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy 4.10 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,4s,5s,6r)-2-[[(1s,2s,4ar,4bs,7s,10ar)-2-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(1s,2s,4ar,4bs,7s,10ar)-2-hydroxy-1,4a,7-trimethyl-7-vinyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy]-6-methylol-tetrahydropyran-3,4,5-triol
  • (2r,3s,4s,5s,6r)-2-[[(1s,2s,4ar,4bs,7s,10ar)-7-ethenyl-2-hydroxy-1,4a,7-trimethyl-3,4,4b,5,6,8,10,10a-octahydro-2h-phenanthren-1-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
InChIKey MNLKJAWNYVVDPI-BSMMYCGNSA-N
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