ChemSpider 2D Image | 25-Hydroxycycloart-23-en-3-one | C30H48O2

25-Hydroxycycloart-23-en-3-one

  • Molecular FormulaC30H48O2
  • Average mass440.701 Da
  • Monoisotopic mass440.365417 Da
  • ChemSpider ID23254198

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(9β,23E)-25-Hydroxy-9,19-cyclolanost-23-en-3-on [German] [ACD/IUPAC Name]
(9β,23E)-25-Hydroxy-9,19-cyclolanost-23-en-3-one [ACD/IUPAC Name]
(9β,23E)-25-Hydroxy-9,19-cyclolanost-23-én-3-one [French] [ACD/IUPAC Name]
148044-47-7 [RN]
25-Hydroxycycloart-23-en-3-one
9,19-Cyclolanost-23-en-3-one, 25-hydroxy-, (9β,23E)- [ACD/Index Name]
(1S,3R,8R,11S,12S,15R,16R)-15-[(E,2R)-6-hydroxy-6-methylhept-4-en-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-one
(23E)-25-hydroxycycloart-23-en-3-one
[148044-47-7] [RN]
cycloart-23-en-3-one, 25-hydroxy-
More...

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 534.1±23.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.2±6.0 kJ/mol
    Flash Point: 225.3±15.2 °C
    Index of Refraction: 1.546
    Molar Refractivity: 132.3±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 8.09
    ACD/LogD (pH 5.5): 7.29
    ACD/BCF (pH 5.5): 205722.16
    ACD/KOC (pH 5.5): 221218.98
    ACD/LogD (pH 7.4): 7.29
    ACD/BCF (pH 7.4): 205722.16
    ACD/KOC (pH 7.4): 221218.98
    Polar Surface Area: 37 Å2
    Polarizability: 52.4±0.5 10-24cm3
    Surface Tension: 42.0±5.0 dyne/cm
    Molar Volume: 417.8±5.0 cm3

    Click to predict properties on the Chemicalize site


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