Hexanorcucurbitacin F

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Formula C24H36O5
IUPAC Name (2s,3s,8s,9r,10r,13r,14s,16r,17r)-17-acetyl-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
Molecular Mass 404.540 g·mol−1
Heat of Formation -1056.6 ± 16.7 kJ·mol−1
Dipole Moment 1.52 ± 1.08 D
Volume 495.65 Å 3
Surface Area 369.22 Å 2
HOMO Energy -9.52 ± 0.55 eV
LUMO Energy 0.67 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,8s,9r,10r,13r,14s,16r,17r)-17-acetyl-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
  • (2s,3s,8s,9r,10r,13r,14s,16r,17r)-17-ethanoyl-2,3,16-trihydroxy-4,4,9,13,14-pentamethyl-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
InChIKey LUCBGVQZYRKKHI-KFOIKILMSA-N
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