19-Norlanosta-5,23-Diene-2,11,22-Trione, 25-(Acetyloxy)-3,16,20-Trihydroxy-9-Methyl-, (3α,9Beta,10α,16α,23E)-

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Properties Simple | Detailed

Formula C32H40O8
IUPAC Name [(e,6r)-6-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Molecular Mass 552.655 g·mol−1
Heat of Formation -1582.4 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 681.53 Å 3
Surface Area 505.12 Å 2
HOMO Energy -9.69 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • 2-epicucurbiticin b
  • [(e,5r)-5-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
  • [(e,6r)-6-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate
  • acetic acid [(e,5r)-5-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-2,11-diketo-4,4,9,13,14-pentamethyl-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester
  • acetic acid [(e,5r)-5-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-4,4,9,13,14-pentamethyl-2,11-dioxo-3,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester
  • cucurbitcin b,2-epi-
  • isocucurbitacin b
CAS Number(s)
  • 17278-28-3
InChIKey WTBZNVRBNJWSPF-DZEACCAPSA-N
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