ChemSpider 2D Image | 5-Hydroxy-4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C20H30O5

5-Hydroxy-4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC20H30O5
  • Average mass350.449 Da
  • Monoisotopic mass350.209320 Da
  • ChemSpider ID33823568

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

2(5H)-Furanone, 5-hydroxy-4-[2-[(1S,2R,4S,4aR,8aR)-1,2,3,4,4a,7,8,8a-octahydro-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
5-Hydroxy-4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxyméthyl)-1,2,4a-triméthyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
5-Hydroxy-4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
5-Hydroxy-4-{2-[(1S,2R,4S,4aR,8aR)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-1,2,3,4,4a,7,8,8a-octahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
1017233-48-5 [RN]
3-[2-[(1S,2R,4S,4Ar,8aR)-4-hydroxy-5-(hydroxymethyl)-1,2,4a-trimethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
6α,16,18-Trihydroxycleroda-3,13-dien-15,16-olide
MFCD23103563

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 561.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.5 mmHg at 25°C
    Enthalpy of Vaporization: 97.0±6.0 kJ/mol
    Flash Point: 197.2±23.6 °C
    Index of Refraction: 1.548
    Molar Refractivity: 94.2±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 3
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 1.97
    ACD/LogD (pH 5.5): 1.96
    ACD/BCF (pH 5.5): 18.26
    ACD/KOC (pH 5.5): 278.36
    ACD/LogD (pH 7.4): 1.96
    ACD/BCF (pH 7.4): 18.22
    ACD/KOC (pH 7.4): 277.68
    Polar Surface Area: 87 Å2
    Polarizability: 37.4±0.5 10-24cm3
    Surface Tension: 45.8±3.0 dyne/cm
    Molar Volume: 296.6±3.0 cm3

    Click to predict properties on the Chemicalize site


    Advertisement