(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 (3-Azido-5-Hydroxy-4-Iodophenoxy)Acetate

Molecule SVG Image

Properties Simple | Detailed

Formula C28H36IN3O9
IUPAC Name but-1-yn-1-ol; dioxiran-3-one; 7-ethynyl-4,8-dimethylene-3-oxabicyclo[9.1.0]dodec-1(11)-ene-5,6,9,10-tetrone; imino(iodoimino)ammonium
Molecular Mass 685.505 g·mol−1
Heat of Formation -1163.2 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 679.58 Å 3
Surface Area 523.17 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -1.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-azido-5-hydroxy-4-iodo-phenoxy)acetic 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
  • 2-(3-azido-5-hydroxy-4-iodophenoxy)acetic 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
  • 7-forskolinyl-2-(3-azido-5-hydroxy-4-iodophenoxy)acetate
  • [(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] 2-(3-azido-5-hydroxy-4-iodo-phenoxy)ethanoate
  • [(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] 2-(3-azido-5-hydroxy-4-iodo-phenoxy)acetate
  • fahia
CAS Number(s)
  • 126869-27-0
InChIKey ZXQONDNYHOQFGD-LLMBDLJQSA-N
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