ChemSpider 2D Image | (4beta,5beta,6alpha,22R)-4,5,6,27-Tetrahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione | C28H40O7

(4β,5β,6α,22R)-4,5,6,27-Tetrahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione

  • Molecular FormulaC28H40O7
  • Average mass488.613 Da
  • Monoisotopic mass488.277405 Da
  • ChemSpider ID28505808

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(4β,5β,6α,22R)-4,5,6,27-Tetrahydroxy-22,26-epoxyergosta-2,24-dien-1,26-dion [German] [ACD/IUPAC Name]
(4β,5β,6α,22R)-4,5,6,27-Tetrahydroxy-22,26-epoxyergosta-2,24-diene-1,26-dione [ACD/IUPAC Name]
(4β,5β,6α,22R)-4,5,6,27-Tétrahydroxy-22,26-époxyergosta-2,24-diène-1,26-dione [French] [ACD/IUPAC Name]
Ergosta-2,24-diene-1,26-dione, 22,26-epoxy-4,5,6,27-tetrahydroxy-, (4β,5β,6α,22R)- [ACD/Index Name]
(2R)-5-(hydroxymethyl)-4-methyl-2-[(1S)-1-[(4S,5S,6S,8S,9S,10R,13S,14S,17R)-4,5,6-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-2,3-dihydropyran-6-one
173614-88-5 [RN]
2,3-didehydrosomnifericin

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 677.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.7 mmHg at 25°C
    Enthalpy of Vaporization: 113.8±6.0 kJ/mol
    Flash Point: 222.2±25.0 °C
    Index of Refraction: 1.594
    Molar Refractivity: 128.7±0.3 cm3
    #H bond acceptors: 7
    #H bond donors: 4
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 3.40
    ACD/LogD (pH 5.5): 2.55
    ACD/BCF (pH 5.5): 50.90
    ACD/KOC (pH 5.5): 579.81
    ACD/LogD (pH 7.4): 2.55
    ACD/BCF (pH 7.4): 50.90
    ACD/KOC (pH 7.4): 579.81
    Polar Surface Area: 124 Å2
    Polarizability: 51.0±0.5 10-24cm3
    Surface Tension: 57.0±3.0 dyne/cm
    Molar Volume: 379.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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