ChemSpider 2D Image | (3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)-6-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-12(4H)-one | C22H32O6

(3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)-6-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-12(4H)-one

  • Molecular FormulaC22H32O6
  • Average mass392.486 Da
  • Monoisotopic mass392.219879 Da
  • ChemSpider ID28424441

  • defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)-6-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-12(4H)-on [German] [ACD/IUPAC Name]
(3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)-6-Hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodecahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-12(4H)-one [ACD/IUPAC Name]
(3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)-6-Hydroxy-11-méthoxy-4,7b,9,12a-tétraméthyl-3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodécahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromén-12(4H)-one [French] [ACD/IUPAC Name]
1,3-Dioxolo[3,4]phenanthro[10,1-bc]pyran-12(4H)-one, 3a,4a,5,6,7a,7b,8,8a,9,12a,12b,12c-dodecahydro-6-hydroxy-11-methoxy-4,7b,9,12a-tetramethyl-, (3aS,4R,4aS,6R,7aR,7bS,8aS,9S,12aS,12bS,12cS)- [ACD/Index Name]
[89498-91-9] [RN]
89498-91-9 [RN]
MFCD20260663
Picrasinol B

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 534.6±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.2 mmHg at 25°C
    Enthalpy of Vaporization: 93.3±6.0 kJ/mol
    Flash Point: 182.7±23.6 °C
    Index of Refraction: 1.562
    Molar Refractivity: 101.8±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.18
    ACD/LogD (pH 5.5): 1.77
    ACD/BCF (pH 5.5): 12.99
    ACD/KOC (pH 5.5): 218.10
    ACD/LogD (pH 7.4): 1.77
    ACD/BCF (pH 7.4): 12.99
    ACD/KOC (pH 7.4): 218.10
    Polar Surface Area: 74 Å2
    Polarizability: 40.4±0.5 10-24cm3
    Surface Tension: 47.7±5.0 dyne/cm
    Molar Volume: 314.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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