ChemSpider 2D Image | ponicidin | C20H26O6

ponicidin

  • Molecular FormulaC20H26O6
  • Average mass362.417 Da
  • Monoisotopic mass362.172943 Da
  • ChemSpider ID21468857

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(1α,5β,6β,7β,8α,9β,10α,14S,20S)-1,6,7-Trihydroxy-7,20:14,20-diepoxykaur-16-en-15-on [German] [ACD/IUPAC Name]
(1α,5β,6β,7β,8α,9β,10α,14S,20S)-1,6,7-Trihydroxy-7,20:14,20-diepoxykaur-16-en-15-one [ACD/IUPAC Name]
(1α,5β,6β,7β,8α,9β,10α,14S,20S)-1,6,7-Trihydroxy-7,20:14,20-diépoxykaur-16-én-15-one [French] [ACD/IUPAC Name]
52617-37-5 [RN]
ponicidin
(1R,2S,8R,9S,11S,13S,14S,15R,19S)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13]nonadecan-7-one
(2S,5S,9R,13R,14S,15R,19S)-13,14,19-Trihydroxy-16,16-dimethyl-6-methylidene-10,12-dioxahexacyclo[9.8.0.01,15.02,8.05,9.08,13 ]nonadecan-7-one
[52617-37-5] [RN]
MFCD01716599 [MDL number]
PONICIDIN/RUBESCENSIN B
More...

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 580.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.7 mmHg at 25°C
    Enthalpy of Vaporization: 99.8±6.0 kJ/mol
    Flash Point: 210.0±23.6 °C
    Index of Refraction: 1.649
    Molar Refractivity: 90.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 3
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 3.11
    ACD/LogD (pH 5.5): 2.58
    ACD/BCF (pH 5.5): 53.36
    ACD/KOC (pH 5.5): 599.70
    ACD/LogD (pH 7.4): 2.58
    ACD/BCF (pH 7.4): 53.32
    ACD/KOC (pH 7.4): 599.28
    Polar Surface Area: 96 Å2
    Polarizability: 35.7±0.5 10-24cm3
    Surface Tension: 67.2±5.0 dyne/cm
    Molar Volume: 247.0±5.0 cm3

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