(1S,2R,4R,9β,16Alpha,23E)-1,2,16,20,25-Pentahydroxy-9,10,14-Trimethyl-4,9-Cyclo-9,10-Secocholesta-5,23-Diene-11,22-Dione

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Formula C30H46O7
IUPAC Name (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-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 518.682 g·mol−1
Heat of Formation -1437.9 ± 16.7 kJ·mol−1
Dipole Moment 6.53 ± 1.08 D
Volume 643.11 Å 3
Surface Area 465.75 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 2.78 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-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
  • (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-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
  • (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-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
  • (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-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
  • (2r,3s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-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
  • cucurbitacin o
CAS Number(s)
  • 25383-23-7
InChIKey AOHIGMQGPFTKQX-SSGGGWRTSA-N
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