ChemSpider 2D Image | (3R,4aR,5S,6S,6aR,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate | C22H34O7

(3R,4aR,5S,6S,6aR,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

  • Molecular FormulaC22H34O7
  • Average mass410.501 Da
  • Monoisotopic mass410.230438 Da
  • ChemSpider ID58178088

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(3R,4aR,5S,6S,6aR,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate [ACD/IUPAC Name]
(3R,4aR,5S,6S,6aR,10S,10aR,10bS)-6,10,10b-Trihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl-acetat [German] [ACD/IUPAC Name]
1H-Naphtho[2,1-b]pyran-1-one, 5-(acetyloxy)-3-ethenyldodecahydro-6,10,10b-trihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aR,5S,6S,6aR,10S,10aR,10bS)- [ACD/Index Name]
Acétate de (3R,4aR,5S,6S,6aR,10S,10aR,10bS)-6,10,10b-trihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC Name]
[66575-29-9] [RN]
66575-29-9 [RN]
Forskolin [Wiki]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 519.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 91.2±6.0 kJ/mol
Flash Point: 171.8±23.6 °C
Index of Refraction: 1.552
Molar Refractivity: 105.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 2.75
ACD/BCF (pH 5.5): 71.99
ACD/KOC (pH 5.5): 743.08
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 71.97
ACD/KOC (pH 7.4): 742.90
Polar Surface Area: 113 Å2
Polarizability: 42.0±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 331.3±5.0 cm3

Click to predict properties on the Chemicalize site


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