ChemSpider 2D Image | (3beta,9xi,22alpha,25R)-Spirosol-5-en-3-ol | C27H43NO2

(3β,9ξ,22α,25R)-Spirosol-5-en-3-ol

  • Molecular FormulaC27H43NO2
  • Average mass413.636 Da
  • Monoisotopic mass413.329376 Da
  • ChemSpider ID22886536

  • defined stereocentres - 10 of 11 defined stereocentres

More details:

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

(3β,9ξ,22α,25R)-Spirosol-5-en-3-ol [ACD/IUPAC Name]
(3β,9ξ,22α,25R)-Spirosol-5-en-3-ol [German] [ACD/IUPAC Name]
(3β,9ξ,22α,25R)-Spirosol-5-én-3-ol [French] [ACD/IUPAC Name]
Spirosol-5-en-3-ol, (3β,9ξ,22α,25R)- [ACD/Index Name]
(1S,2S,4S,5'R,6R,7S,8R,9S,13R,16S)-5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-piperidin]-18-en-16-ol
(2'R,4S,5'R,6aR,8aS,8bR,9S,11aS,12aS,12bS)-5',6a,8a,9-tetramethyl-1,3,4,5,6,6a,6b,7,8,8a,8b,9,11a,12,12a,12b-hexadecahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-piperidin]-4-ol

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 537.9±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.7±6.0 kJ/mol
    Flash Point: 279.1±30.1 °C
    Index of Refraction: 1.572
    Molar Refractivity: 121.3±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 1
    ACD/LogP: 5.78
    ACD/LogD (pH 5.5): 2.74
    ACD/BCF (pH 5.5): 14.71
    ACD/KOC (pH 5.5): 36.69
    ACD/LogD (pH 7.4): 4.26
    ACD/BCF (pH 7.4): 482.88
    ACD/KOC (pH 7.4): 1204.46
    Polar Surface Area: 41 Å2
    Polarizability: 48.1±0.5 10-24cm3
    Surface Tension: 45.5±5.0 dyne/cm
    Molar Volume: 368.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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