23,24-Dihydrocucurbitacin D

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Formula C30H46O7
IUPAC Name (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 518.682 g·mol−1
Heat of Formation -1495.0 ± 16.7 kJ·mol−1
Dipole Moment 5.42 ± 1.08 D
Volume 642.52 Å 3
Surface Area 467.8 Å 2
HOMO Energy -9.68 ± 0.55 eV
LUMO Energy 0.50 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-2-oxohexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-2-keto-1,5-dimethyl-hexyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(2r)-2,6-dihydroxy-6-methyl-3-oxo-heptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(2r)-2,6-dihydroxy-6-methyl-3-oxoheptan-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
CAS Number(s)
  • 55903-92-9
InChIKey ITMUUFDDBRYVNJ-VOKXYEOFSA-N
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