A-Elaterin

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Properties Simple | Detailed

Formula C32H44O8
IUPAC Name [(e,5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
Molecular Mass 556.687 g·mol−1
Heat of Formation -1481.6 ± 16.7 kJ·mol−1
Dipole Moment 3.66 ± 1.08 D
Volume 678.17 Å 3
Surface Area 512.06 Å 2
HOMO Energy -9.30 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-elaterin
  • .alpha.-elaterine
  • 19-nor-9.beta.,10.alpha.-lanosta-1,5,23-triene-3,11,22-trione, 2,16.alpha.,20,25-tetrahydroxy-9-methyl-, 25-acetate
  • 19-norlanosta-1,5,23-triene-3,11,22-trione, 25-(acetyloxy)-2,16,20-trihydroxy-9-methyl-, (9.beta.,10.alpha.,16.alpha.,23e)-
  • [(5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
  • [(6r)-6-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate
  • [(6r)-6-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
  • [(e,5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxo-hex-2-enyl] acetate
  • [(e,6r)-6-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxo-hept-3-en-2-yl] ethanoate
  • [(e,6r)-6-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
  • acetic acid [(5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester
  • acetic acid [(5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester
  • acetic acid [(e,5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-3,11-diketo-4,4,9,13,14-pentamethyl-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-4-keto-1,1-dimethyl-hex-2-enyl] ester
  • acetic acid [(e,5r)-5-[(8s,9r,10r,13r,14s,16r,17r)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester
  • cucurbitacin e
  • cucurbitacine e
  • elaterin, alpha
  • lmst01010107
CAS Number(s)
  • 18444-66-1
InChIKey NDYMQXYDSVBNLL-MUYMLXPFSA-N
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