1,9-Dideoxyforskolin

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Properties Simple | Detailed

Formula C22H34O5
IUPAC Name [(3r,4as,5s,6s,6as,10as,10br)-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] acetate
Molecular Mass 378.502 g·mol−1
Heat of Formation -1026.6 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 468.87 Å 3
Surface Area 353.41 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy 0.79 ± eV
Point Group Symmetry C1
Synonyms
  • 1,9-dideoxyforskolin from coleus forskohlii
  • 1h-naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-, (3r,4as,5s,6s,6as,10as,10br)-
  • 1h-naphtho(2,1-b)pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6-hydroxy-3,4a,7,7,10a-pentamethyl-, (3r-(3alpha,4abeta,5beta,6beta,6aalpha,10abeta,10balpha))-
  • 7beta-acetoxy-6beta-hydroxy-8,13-epoxy-labd-14-en-11-one
  • [(3r,4as,5s,6s,6as,10as,10br)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] acetate
  • [(3r,4as,5s,6s,6as,10as,10br)-3-ethenyl-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] ethanoate
  • [(3r,4as,5s,6s,6as,10as,10br)-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] acetate
  • acetic acid [(3r,4as,5s,6s,6as,10as,10br)-6-hydroxy-1-keto-3,4a,7,7,10a-pentamethyl-3-vinyl-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] ester
  • acetic acid [(3r,4as,5s,6s,6as,10as,10br)-6-hydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyl-2,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromen-5-yl] ester
CAS Number(s)
  • 64657-18-7
InChIKey ZKZMDXUDDJYAIB-SUCLLAFCSA-N
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