(3R,4As,5R,6R,6Ar,10R,10As,10Br)-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxo-3-Vinyldodecahydro-1H-Benzo[F]Chromen-5-Yl 4-{[2-(4-Azido-3-Iodophenyl)Ethyl]Amino}-4-Oxobutanoate

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Properties Simple | Detailed

Formula C32H43IN4O8
IUPAC Name [(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodo-phenyl)ethylamino]-4-oxo-butanoate
Molecular Mass 738.610 g·mol−1
Heat of Formation -1146.8 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 761.56 Å 3
Surface Area 514.33 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-iodo-4-azidophenethylamido-7-o-succinyldeacetylforskolin
  • 4-[2-(4-azido-3-iodo-phenyl)ethylamino]-4-keto-butyric acid [(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] ester
  • 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoic acid [(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] ester
  • [(3r,4as,5r,6r,6ar,10r,10as,10br)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodo-phenyl)ethylamino]-4-oxo-butanoate
  • [(3r,4as,5r,6r,6ar,10r,10as,10br)-3-ethenyl-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodophenyl)ethylamino]-4-oxobutanoate
  • [(3r,4as,5r,6r,6ar,10r,10as,10br)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] 4-[2-(4-azido-3-iodo-phenyl)ethylamino]-4-oxo-butanoate
  • butanoic acid, 4-((2-(4-azido-3-iodophenyl)ethyl)amino)-4-oxo-, 3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1h-naphtho(2,1-b)pyran-5-yl ester, (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
  • iaps-forskolin
CAS Number(s)
  • 111399-48-5
InChIKey IUGVZLHMBHRXLF-ZVHPZFBOSA-N
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