ChemSpider 2D Image | (5beta,6beta,7beta,8alpha,9beta,10alpha,11alpha,13alpha)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate | C22H30O6

(5β,6β,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID26632170

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5β,6β,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl acetate [ACD/IUPAC Name]
(5β,6β,7β,8α,9β,10α,11α,13α)-6,7-Dihydroxy-15-oxo-7,20-epoxykaur-16-en-11-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (5β,6β,7β,8α,9β,10α,11α,13α)-6,7-dihydroxy-15-oxo-7,20-époxykaur-16-én-11-yle [French] [ACD/IUPAC Name]
[(1S,2S,3R,5S,8S,9S,10S,11R)-9,10-dihydroxy-12,12-dimethyl-6-methylidene-7-oxo-17-oxapentacyclo[7.6.2.15,8.01,11.02,8]octadecan-3-yl] acetate
[77949-42-9] [RN]
77949-42-9 [RN]
Longikaurin E
MFCD20261066

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 540.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.0±6.0 kJ/mol
    Flash Point: 185.8±23.6 °C
    Index of Refraction: 1.589
    Molar Refractivity: 99.9±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.71
    ACD/LogD (pH 5.5): 2.85
    ACD/BCF (pH 5.5): 86.30
    ACD/KOC (pH 5.5): 846.07
    ACD/LogD (pH 7.4): 2.85
    ACD/BCF (pH 7.4): 86.28
    ACD/KOC (pH 7.4): 845.90
    Polar Surface Area: 93 Å2
    Polarizability: 39.6±0.5 10-24cm3
    Surface Tension: 55.5±5.0 dyne/cm
    Molar Volume: 296.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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