19-Nor-9β,10Alpha-Lanosta-5,23-Diene-11,22-Dione, 3β,16Alpha,20,25-Tetrahydroxy-9-(Hydroxymethyl)-, 25-Acetate

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Formula C32H44O8
IUPAC Name [(e,6r)-6-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
Molecular Mass 556.687 g·mol−1
Heat of Formation -1641.6 ± 16.7 kJ·mol−1
Dipole Moment 1.49 ± 1.08 D
Volume 689.86 Å 3
Surface Area 507.43 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.61 ± eV
Point Group Symmetry C1
Synonyms
  • 19-nor-9.beta.,10.alpha.-lanosta-5,23-diene-11,22-dione, 3.beta.,16.alpha.,20,25-tetrahydroxy-9-(hydroxymethyl)-, 25-acetate
  • 19-norlanosta-5,23-diene-11,22-dione, 25-(acetyloxy)-3,16,20-trihydroxy-9-(hydroxymethyl)-, (3.beta.,9.beta.,10.alpha.,16.alpha.,23e)-
  • [(e,5r)-5-[(3s,8s,9r,10r,13r,14s,16r,17r)-3,16-dihydroxy-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[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-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[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-11-keto-4,4,13,14-tetramethyl-9-methylol-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[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-9-(hydroxymethyl)-4,4,13,14-tetramethyl-11-oxo-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-hydroxy-1,1-dimethyl-4-oxohex-2-enyl] ester
  • cucurbitacin c
  • lmst01010105
CAS Number(s)
  • 5988-76-1
InChIKey DGIGXLXLGBAJJN-TUOUHCSQSA-N
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