ChemSpider 2D Image | (5beta,6beta,8alpha,9beta,10alpha,13alpha)-7-Hydroxy-1-oxo-7,20-epoxykaura-2,16-diene-6,15-diyl diacetate | C24H30O7

(5β,6β,8α,9β,10α,13α)-7-Hydroxy-1-oxo-7,20-epoxykaura-2,16-diene-6,15-diyl diacetate

  • Molecular FormulaC24H30O7
  • Average mass430.491 Da
  • Monoisotopic mass430.199158 Da
  • ChemSpider ID34966863

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(5β,6β,8α,9β,10α,13α)-7-Hydroxy-1-oxo-7,20-epoxykaura-2,16-dien-6,15-diyl-diacetat [German] [ACD/IUPAC Name]
(5β,6β,8α,9β,10α,13α)-7-Hydroxy-1-oxo-7,20-epoxykaura-2,16-diene-6,15-diyl diacetate [ACD/IUPAC Name]
Diacétate de (5β,6β,8α,9β,10α,13α)-7-hydroxy-1-oxo-7,20-époxykaura-2,16-diène-6,15-diyle [French] [ACD/IUPAC Name]
(7S,15R)-6β,15-Diacetoxy-7α,20-epoxy-7-hydroxykaura-2,16-dien-1-one
[51419-51-3] [RN]
51419-51-3 [RN]
MFCD20260359
Odonicin

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 545.7±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.3 mmHg at 25°C
    Enthalpy of Vaporization: 94.8±6.0 kJ/mol
    Flash Point: 182.8±23.6 °C
    Index of Refraction: 1.583
    Molar Refractivity: 109.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.95
    ACD/LogD (pH 5.5): 3.19
    ACD/BCF (pH 5.5): 156.29
    ACD/KOC (pH 5.5): 1294.29
    ACD/LogD (pH 7.4): 3.19
    ACD/BCF (pH 7.4): 156.28
    ACD/KOC (pH 7.4): 1294.16
    Polar Surface Area: 99 Å2
    Polarizability: 43.4±0.5 10-24cm3
    Surface Tension: 53.4±5.0 dyne/cm
    Molar Volume: 327.6±5.0 cm3

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