ChemSpider 2D Image | (3R,4aS,5S,6S,10S,10aS,10bR)-6,10-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate | C22H34O6

(3R,4aS,5S,6S,10S,10aS,10bR)-6,10-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate

  • Molecular FormulaC22H34O6
  • Average mass394.502 Da
  • Monoisotopic mass394.235535 Da
  • ChemSpider ID29367864

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(3R,4aS,5S,6S,10S,10aS,10bR)-6,10-Dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-5-yl acetate [ACD/IUPAC Name]
(3R,4aS,5S,6S,10S,10aS,10bR)-6,10-Dihydroxy-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-dihydroxy-3,4a,7,7,10a-pentamethyl-, (3R,4aS,5S,6S,10S,10aS,10bR)- [ACD/Index Name]
Acétate de (3R,4aS,5S,6S,10S,10aS,10bR)-6,10-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-5-yle [French] [ACD/IUPAC Name]
7β-Acetoxy-1α,6β-dihydroxy-8,13-epoxy-labd-14-en-11-one
84048-28-2 [RN]
9-deoxyforskolin
9-DEOXYFORSKOLIN-COLEUS FORSKOHLII
MFCD00133016

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 490.4±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.8 mmHg at 25°C
    Enthalpy of Vaporization: 87.2±6.0 kJ/mol
    Flash Point: 160.7±22.2 °C
    Index of Refraction: 1.536
    Molar Refractivity: 104.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.01
    ACD/LogD (pH 5.5): 2.96
    ACD/BCF (pH 5.5): 105.38
    ACD/KOC (pH 5.5): 976.14
    ACD/LogD (pH 7.4): 2.96
    ACD/BCF (pH 7.4): 105.38
    ACD/KOC (pH 7.4): 976.14
    Polar Surface Area: 93 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 46.3±5.0 dyne/cm
    Molar Volume: 334.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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