(3S,4As,5R,6R,6Ar,10R,10As,10Br)-3-Ethyl-6,10,10B-Trihydroxy-3,4A,7,7,10A-Pentamethyl-1-Oxododecahydro-1H-Benzo[F]Chromen-5-Yl Acetate

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Properties Simple | Detailed

Formula C22H36O7
IUPAC Name [(3s,4as,5r,6r,6ar,10r,10as,10br)-3-ethyl-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] acetate
Molecular Mass 412.517 g·mol−1
Heat of Formation -1500.8 ± 16.7 kJ·mol−1
Dipole Moment 4.86 ± 1.08 D
Volume 493.51 Å 3
Surface Area 357.99 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.72 ± eV
Point Group Symmetry C1
Synonyms
  • 14,15-dihydrocoleonol
  • 14,15-dihydroforskolin
  • 1h-naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3s-(3alpha,4abeta,5beta,6beta,6aalpha,10alpha,10abeta,10balpha))-
  • [(3s,4as,5r,6r,6ar,10r,10as,10br)-3-ethyl-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] acetate
  • [(3s,4as,5r,6r,6ar,10r,10as,10br)-3-ethyl-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] ethanoate
  • acetic acid [(3s,4as,5r,6r,6ar,10r,10as,10br)-3-ethyl-6,10,10b-trihydroxy-1-keto-3,4a,7,7,10a-pentamethyl-5,6,6a,8,9,10-hexahydro-2h-benzo[f]chromen-5-yl] ester
  • acetic acid [(3s,4as,5r,6r,6ar,10r,10as,10br)-3-ethyl-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] ester
CAS Number(s)
  • 64657-24-5
InChIKey FSHODSIPAGXXTP-XMKAUJQESA-N
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