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

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Properties Simple | Detailed

Formula C32H44IN5O8
IUPAC Name [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-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] n-[2-[3-(4-azido-3-iodo-phenyl)propanoylamino]ethyl]carbamate
Molecular Mass 753.625 g·mol−1
Heat of Formation -1121.2 ± 16.7 kJ·mol−1
Dipole Moment 7.66 ± 1.08 D
Volume 776.01 Å 3
Surface Area 536.91 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1h-naphtho(2,1-b)pyran-5-yl (2-((3-(4-azido-3-(iodo-125i)phenyl)-1-oxopropyl)amino)ethyl)carbamate
  • 7-aipp-fsk-i125
  • [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-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] n-[2-[3-(4-azido-3-iodo-phenyl)propanoylamino]ethyl]carbamate
  • [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-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] n-[2-[3-(4-azido-3-iodo-phenyl)propanoylamino]ethyl]carbamate
  • carbamic acid, (2-((3-(4-azido-3-(iodo-125i)phenyl)-1-oxopropyl)amino)ethyl)-, 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))-
  • n-(3-(4-azido-3-iodophenyl)-propionamide)-7-aminoethylcarbamyl-7-desacetylforskolin
  • n-[2-[3-(4-azido-3-iodo-phenyl)propanoylamino]ethyl]carbamic acid [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-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
  • n-[2-[[3-(4-azido-3-iodophenyl)-1-oxopropyl]amino]ethyl]carbamic acid [(3r,4ar,5s,6s,6as,10s,10ar,10bs)-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
CAS Number(s)
  • 136133-69-2
InChIKey SCYQBFSVKFFINI-LYCOBPPHSA-N
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