ChemSpider 2D Image | cyasterone | C29H44O8

cyasterone

  • Molecular FormulaC29H44O8
  • Average mass520.655 Da
  • Monoisotopic mass520.303589 Da
  • ChemSpider ID29367912

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

(2β,3β,5β,23R,24ξ,25S,28R)-2,3,14,20,23-Pentahydroxy-26,28-epoxystigmast-7-en-6,26-dion [German] [ACD/IUPAC Name]
(2β,3β,5β,23R,24ξ,25S,28R)-2,3,14,20,23-Pentahydroxy-26,28-epoxystigmast-7-ene-6,26-dione [ACD/IUPAC Name]
(2β,3β,5β,23R,24ξ,25S,28R)-2,3,14,20,23-Pentahydroxy-26,28-époxystigmast-7-ène-6,26-dione [French] [ACD/IUPAC Name]
17086-76-9 [RN]
cyasterone
Stigmast-7-ene-6,26-dione, 26,28-epoxy-2,3,14,20,23-pentahydroxy-, (2β,3β,5β,23R,24ξ,25S,28R)- [ACD/Index Name]
(22R,24S,25S,28R)-2β,3β,14,20,22-pentahydroxy-26,28-epoxy-5-β-stigmast-7-ene-6,26-dione
[17086-76-9] [RN]
7,(5β)-CHOLESTEN-26-CARBOXYLICACID-24β-(1-HYDROXYETHYL)-2β,3β,14α,20β,22R-PENTOL-6-ONEGAMMA-LACTONE
MFCD01683622

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 742.8±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±5.6 mmHg at 25°C
    Enthalpy of Vaporization: 123.6±6.0 kJ/mol
    Flash Point: 242.0±26.4 °C
    Index of Refraction: 1.600
    Molar Refractivity: 135.3±0.4 cm3
    #H bond acceptors: 8
    #H bond donors: 5
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 2
    ACD/LogP: -0.25
    ACD/LogD (pH 5.5): 0.72
    ACD/BCF (pH 5.5): 2.07
    ACD/KOC (pH 5.5): 58.64
    ACD/LogD (pH 7.4): 0.72
    ACD/BCF (pH 7.4): 2.07
    ACD/KOC (pH 7.4): 58.64
    Polar Surface Area: 145 Å2
    Polarizability: 53.6±0.5 10-24cm3
    Surface Tension: 62.2±5.0 dyne/cm
    Molar Volume: 395.5±5.0 cm3

    Click to predict properties on the Chemicalize site


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