(3R,4As,5R,6R,6Ar,10R,10As,10Br)-5,6,10,10B-Tetrahydroxy-3,4A,7,7,10A-Pentamethyl-3-Vinyldodecahydro-1H-Benzo[F]Chromen-1-One

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Formula C20H32O6
IUPAC Name (3r,4as,5r,6r,6ar,10r,10as,10br)-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-1-one
Molecular Mass 368.464 g·mol−1
Heat of Formation -1193.3 ± 16.7 kJ·mol−1
Dipole Moment 1.74 ± 1.08 D
Volume 433.74 Å 3
Surface Area 323.54 Å 2
HOMO Energy -9.81 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4as,5r,6r,6ar,10r,10as,10br)-3-ethenyl-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-1-one
  • (3r,4as,5r,6r,6ar,10r,10as,10br)-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-3-vinyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-1-one
  • 1h-naphtho(2,1-b)pyran-1-one, 3-ethenyldodecahydro-5,6,10,10b-tetrahydroxy-3,4a,7,7,10a-pentamethyl-, (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
  • 7-desacetylforskolin
CAS Number(s)
  • 64657-20-1
InChIKey WPDITXOBNLYZHH-BKHSYUBZSA-N
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