ChemSpider 2D Image | Cycloastragenol | C30H50O5

Cycloastragenol

  • Molecular FormulaC30H50O5
  • Average mass490.715 Da
  • Monoisotopic mass490.365814 Da
  • ChemSpider ID28428684

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(3β,6α,9β,16β,20R,24R)-20,24-Epoxy-9,19-cyclolanostan-3,6,16,25-tetrol [German] [ACD/IUPAC Name]
(3β,6α,9β,16β,20R,24R)-20,24-Epoxy-9,19-cyclolanostane-3,6,16,25-tetrol [ACD/IUPAC Name]
(3β,6α,9β,16β,20R,24R)-20,24-Époxy-9,19-cyclolanostane-3,6,16,25-tétrol [French] [ACD/IUPAC Name]
78574-94-4 [RN]
9,19-Cyclolanostane-3,6,16,25-tetrol, 20,24-epoxy-, (3β,6α,9β,16β,20R,24R)- [ACD/Index Name]
Cycloastragenol [Wiki]
(1S,3R,6S,8R,9S,11S,12S,14S,15R,16R)-15-[(2R,5R)-5-(2-Hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12,16-tetramethylpentacyclo[9.7.0.01,3.03,8.012,16]octadecane-6,9,14-triol
(2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-3-((2R,5R)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyltetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthrene-4,7,9-triol
[78574-94-4] [RN]
84605-18-5 [RN]
More...

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 617.2±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±4.0 mmHg at 25°C
    Enthalpy of Vaporization: 104.9±6.0 kJ/mol
    Flash Point: 327.1±31.5 °C
    Index of Refraction: 1.582
    Molar Refractivity: 136.5±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 4
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 3.82
    ACD/LogD (pH 5.5): 3.91
    ACD/BCF (pH 5.5): 549.34
    ACD/KOC (pH 5.5): 3182.57
    ACD/LogD (pH 7.4): 3.91
    ACD/BCF (pH 7.4): 549.34
    ACD/KOC (pH 7.4): 3182.57
    Polar Surface Area: 90 Å2
    Polarizability: 54.1±0.5 10-24cm3
    Surface Tension: 53.0±5.0 dyne/cm
    Molar Volume: 408.8±5.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement