19-Norlanosta-1,5,23-Triene-3,11,22-Trione, 2,16,20,25-Tetrahydroxy-9-Methyl-, (9.β.,10.Alpha.,16.Alpha.,23E)-

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Properties Simple | Detailed

Formula C30H42O7
IUPAC Name (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione
Molecular Mass 514.650 g·mol−1
Heat of Formation -1293.7 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 629.64 Å 3
Surface Area 460.27 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -0.62 ± eV
Point Group Symmetry C1
Synonyms
  • (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione
  • (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione
  • (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-quinone
  • (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione
  • (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-8,10,12,15,16,17-hexahydro-7h-cyclopenta[a]phenanthrene-3,11-dione
  • 19-nor-9-beta,10-alpha-lanosta-1,5,23-triene-3,11,22-trione, 9-methyl-2,16,20,25-tetrahydroxy-
  • 19-norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)-
  • 19-norlanosta-1,5,23-triene-3,11,22-trione, 2,16,20,25-tetrahydroxy-9-methyl-, (9beta,10alpha,16alpha)- (van) (9ci)
  • 2,16alpha,20,25-tetrahydroxy-9beta-methyl-10alpha-19-norlanosta-1,5,23(e)-triene-3,11,22-trione
  • cucurbitacin i
  • jsi-124
  • lmst01010110
CAS Number(s)
  • 2222-07-3
InChIKey NISPVUDLMHQFRQ-MKIKIEMVSA-N
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