ChemSpider 2D Image | (1R,2R,3aS,9aS)-2-(Tetrahydro-2H-pyran-2-yloxy)-1-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-ol | C31H46O5

(1R,2R,3aS,9aS)-2-(Tetrahydro-2H-pyran-2-yloxy)-1-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-ol

  • Molecular FormulaC31H46O5
  • Average mass498.694 Da
  • Monoisotopic mass498.334534 Da
  • ChemSpider ID28536396

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 5 of 7 defined stereocentres

More details:

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

(1R,2R,3aS,9aS)-2-((Tetrahydro-2H-pyran-2-yl)oxy)-1-((3S,E)-3-((tetrahydro-2H-pyran-2-yl)oxy)oct-1-en-1-yl)-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-ol
(1R,2R,3aS,9aS)-2-(Tétrahydro-2H-pyran-2-yloxy)-1-[(1E,3S)-3-(tétrahydro-2H-pyran-2-yloxy)-1-octén-1-yl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphtalén-5-ol [French] [ACD/IUPAC Name]
(1R,2R,3aS,9aS)-2-(Tetrahydro-2H-pyran-2-yloxy)-1-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalen-5-ol [ACD/IUPAC Name]
(1R,2R,3aS,9aS)-2-(Tetrahydro-2H-pyran-2-yloxy)-1-[(1E,3S)-3-(tetrahydro-2H-pyran-2-yloxy)-1-octen-1-yl]-2,3,3a,4,9,9a-hexahydro-1H-cyclopenta[b]naphthalin-5-ol [German] [ACD/IUPAC Name]
1H-Benz[f]inden-5-ol, 2,3,3a,4,9,9a-hexahydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-1-[(1E,3S)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octen-1-yl]-, (1R,2R,3aS,9aS)- [ACD/Index Name]
81846-28-8 [RN]
(1R,2R,3aS,9AS)-2-((tetrahydro-2H-pyran-2-yl)oxy)-1-((3R,E)-3-((tetrahydro-2H-pyran-2-yl)oxy)oct-1-en-1-yl)-2,3,3a,4,9,9a-hexahydro- 1H-cyclopenta[b]naphthalen-5-ol
(1R,2R,3as,9AS)-2,3,3a,4,9,9a-hexahydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-1-[(1e,3S)-3-[(tetrahydro
(1R,2R,3as,9AS)-2,3,3a,4,9,9a-hexahydro-2-[(tetrahydro-2H-pyran-2-yl)oxy]-1-[(1e,3S)-3-[(tetrahydro-2H-pyran-2-yl)oxy]-1-octen-1-yl] -1H-benz[f]inden-5-ol
[81846-28-8] [RN]
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 627.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 96.3±3.0 kJ/mol
    Flash Point: 333.6±31.5 °C
    Index of Refraction: 1.561
    Molar Refractivity: 142.6±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 10
    #Rule of 5 Violations: 1
    ACD/LogP: 6.00
    ACD/LogD (pH 5.5): 6.41
    ACD/BCF (pH 5.5): 43535.88
    ACD/KOC (pH 5.5): 72789.33
    ACD/LogD (pH 7.4): 6.41
    ACD/BCF (pH 7.4): 43478.32
    ACD/KOC (pH 7.4): 72693.09
    Polar Surface Area: 57 Å2
    Polarizability: 56.5±0.5 10-24cm3
    Surface Tension: 47.6±5.0 dyne/cm
    Molar Volume: 440.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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