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

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Properties Simple | Detailed

Formula C30H44O7
IUPAC Name (2s,4s,8s,9r,10r,13r,14s,16r,17r)-16-hydroxy-17-[(e,1r)-1-hydroxy-1,5-dimethyl-5-oxido-2-oxo-hex-3-enyl]-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthren-2-olate
Molecular Mass 516.666 g·mol−1
Heat of Formation -1389.9 ± 16.7 kJ·mol−1
Dipole Moment 4.62 ± 1.08 D
Volume 637.26 Å 3
Surface Area 460.37 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy 2.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(1r)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(2r)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(2r)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxo-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-1,5-dimethyl-2-oxohex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,1r)-1,5-dihydroxy-2-keto-1,5-dimethyl-hex-3-enyl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-quinone
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxo-hept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • (2s,8s,9r,10r,13r,14s,16r,17r)-17-[(e,2r)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl]-2,16-dihydroxy-4,4,9,13,14-pentamethyl-2,7,8,10,12,15,16,17-octahydro-1h-cyclopenta[a]phenanthrene-3,11-dione
  • 19-nor-9-beta,10-alpha-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2-beta,16-alpha,20,25-tetrahydroxy-
  • 19-nor-9.beta.,10.alpha.-lanosta-5,23-diene-3,11,22-trione, 9-methyl-2.beta.,16.alpha.,20,25-tetrahydroxy-
  • 19-norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2.beta.,9.beta.,10.alpha.,16.alpha.,23e)-
  • 19-norlanosta-5,23-diene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (2beta,9beta,10alpha,16alpha,23e)- (9ci)
  • cucurbitacin d
  • cucurbitacine (d)
  • elatericin a
  • elatericine a
  • lmst01010106
CAS Number(s)
  • 3877-86-9
InChIKey SRPHMISUTWFFKJ-QJNWWGCFSA-N
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