ChemSpider 2D Image | (2beta,3beta,5beta,9xi,22R,24R)-2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one | C28H46O7

(2β,3β,5β,9ξ,22R,24R)-2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one

  • Molecular FormulaC28H46O7
  • Average mass494.661 Da
  • Monoisotopic mass494.324341 Da
  • ChemSpider ID23550998

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(2β,3β,5β,9ξ,22R,24R)-2,3,14,20,22,25-Hexahydroxyergost-7-en-6-on [German] [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R,24R)-2,3,14,20,22,25-Hexahydroxyergost-7-en-6-one [ACD/IUPAC Name]
(2β,3β,5β,9ξ,22R,24R)-2,3,14,20,22,25-Hexahydroxyergost-7-én-6-one [French] [ACD/IUPAC Name]
Ergost-7-en-6-one, 2,3,14,20,22,25-hexahydroxy-, (2β,3β,5β,9ξ,22R,24R)- [ACD/Index Name]
20137-14-8 [RN]
Makisterone A

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 704.4±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.1 mmHg at 25°C
    Enthalpy of Vaporization: 117.8±6.0 kJ/mol
    Flash Point: 393.8±29.4 °C
    Index of Refraction: 1.591
    Molar Refractivity: 132.4±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 6
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 1
    ACD/LogP: -0.18
    ACD/LogD (pH 5.5): 0.55
    ACD/BCF (pH 5.5): 1.54
    ACD/KOC (pH 5.5): 47.53
    ACD/LogD (pH 7.4): 0.55
    ACD/BCF (pH 7.4): 1.54
    ACD/KOC (pH 7.4): 47.53
    Polar Surface Area: 138 Å2
    Polarizability: 52.5±0.5 10-24cm3
    Surface Tension: 60.3±5.0 dyne/cm
    Molar Volume: 391.9±5.0 cm3

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