ChemSpider 2D Image | Inotodiol | C30H50O2

Inotodiol

  • Molecular FormulaC30H50O2
  • Average mass442.717 Da
  • Monoisotopic mass442.381073 Da
  • ChemSpider ID23282401

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3β,22R)-Lanosta-8,24-dien-3,22-diol [German] [ACD/IUPAC Name]
(3β,22R)-Lanosta-8,24-diene-3,22-diol [ACD/IUPAC Name]
(3β,22R)-Lanosta-8,24-diène-3,22-diol [French] [ACD/IUPAC Name]
35963-37-2 [RN]
Inotodiol [Wiki]
Lanosta-8,24-diene-3,22-diol, (3β,22R)- [ACD/Index Name]
(3S,5R,10S,13R,14R,17R)-17-[(2S,3R)-3-hydroxy-6-methylhept-5-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol
lanosta-8,24-diene-3β,22R-diol

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 534.3±50.0 °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: 215.6±24.7 °C
    Index of Refraction: 1.540
    Molar Refractivity: 134.9±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 9.00
    ACD/LogD (pH 5.5): 8.51
    ACD/BCF (pH 5.5): 1000000.00
    ACD/KOC (pH 5.5): 1010550.63
    ACD/LogD (pH 7.4): 8.51
    ACD/BCF (pH 7.4): 1000000.00
    ACD/KOC (pH 7.4): 1010550.63
    Polar Surface Area: 40 Å2
    Polarizability: 53.5±0.5 10-24cm3
    Surface Tension: 40.9±5.0 dyne/cm
    Molar Volume: 429.7±5.0 cm3

    Click to predict properties on the Chemicalize site


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