ChemSpider 2D Image | (1alpha,5beta,6beta,7beta,8alpha,9beta,10alpha,13alpha)-1,6,7,11-Tetrahydroxy-7,20-epoxykaur-16-en-15-one | C20H28O6

(1α,5β,6β,7β,8α,9β,10α,13α)-1,6,7,11-Tetrahydroxy-7,20-epoxykaur-16-en-15-one

  • Molecular FormulaC20H28O6
  • Average mass364.433 Da
  • Monoisotopic mass364.188599 Da
  • ChemSpider ID58802235

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1α,5β,6β,7β,8α,9β,10α,13α)-1,6,7,11-Tetrahydroxy-7,20-epoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,5β,6β,7β,8α,9β,10α,13α)-1,6,7,11-Tetrahydroxy-7,20-epoxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,5β,6β,7β,8α,9β,10α,13α)-1,6,7,11-Tétrahydroxy-7,20-époxykaur-16-én-15-one [French] [ACD/IUPAC Name]
(1S,2S,3R,5S,8S,9S,10S,11R,15S)-3,9,10,15-Tetrahydroxy-12,12-dimethyl-6-methylidene-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-7-one
76470-15-0 [RN]
Effusanin E

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 591.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.8 mmHg at 25°C
    Enthalpy of Vaporization: 101.2±6.0 kJ/mol
    Flash Point: 211.7±23.6 °C
    Index of Refraction: 1.635
    Molar Refractivity: 91.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 4
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 1.05
    ACD/LogD (pH 5.5): 1.26
    ACD/BCF (pH 5.5): 5.31
    ACD/KOC (pH 5.5): 115.00
    ACD/LogD (pH 7.4): 1.26
    ACD/BCF (pH 7.4): 5.31
    ACD/KOC (pH 7.4): 114.97
    Polar Surface Area: 107 Å2
    Polarizability: 36.4±0.5 10-24cm3
    Surface Tension: 67.7±5.0 dyne/cm
    Molar Volume: 256.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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