ChemSpider 2D Image | (3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-3-(Acetyloxy)-1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethylbisoxireno[1,10a:3,4]phenanthro[3,2-b]furan-9(7aH)-one | C22H28O6

(3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-3-(Acetyloxy)-1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethylbisoxireno[1,10a:3,4]phenanthro[3,2-b]furan-9(7aH)-one

  • Molecular FormulaC22H28O6
  • Average mass388.454 Da
  • Monoisotopic mass388.188599 Da
  • ChemSpider ID30772622

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-3-(Acetyloxy)-1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethylbisoxireno[1,10a:3,4]phenanthro[3,2-b]furan-9(7aH)-one
(3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-4,4,8,11c-Tetramethyl-9-oxo-1,2,3,4,4a,5,6,7a,9,11a,11b,11c-dodecahydrobisoxireno[3,4:1,10a]phenanthro[3,2-b]furan-3-yl acetate [ACD/IUPAC Name]
(3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-4,4,8,11c-Tetramethyl-9-oxo-1,2,3,4,4a,5,6,7a,9,11a,11b,11c-dodecahydrobisoxireno[3,4:1,10a]phenanthro[3,2-b]furan-3-yl-acetat [German] [ACD/IUPAC Name]
122537-60-4 [RN]
Acétate de (3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)-4,4,8,11c-tétraméthyl-9-oxo-1,2,3,4,4a,5,6,7a,9,11a,11b,11c-dodécahydrobisoxiréno[3,4:1,10a]phénanthro[3,2-b]furan-3-yle [French] [ACD/IUPAC Name]
Bisoxireno[3,4:1,10a]phenanthro[3,2-b]furan-9(7aH)-one, 3-(acetyloxy)-1,2,3,4,4a,5,6,11a,11b,11c-decahydro-4,4,8,11c-tetramethyl-, (3S,4aS,6aS,7aR,10aS,11aS,11bR,11cR)- [ACD/Index Name]
Gelomulide B
MFCD28009401

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 540.4±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.8±3.0 kJ/mol
    Flash Point: 236.3±30.2 °C
    Index of Refraction: 1.585
    Molar Refractivity: 98.2±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.09
    ACD/LogD (pH 5.5): 2.39
    ACD/BCF (pH 5.5): 38.89
    ACD/KOC (pH 5.5): 478.19
    ACD/LogD (pH 7.4): 2.39
    ACD/BCF (pH 7.4): 38.89
    ACD/KOC (pH 7.4): 478.19
    Polar Surface Area: 78 Å2
    Polarizability: 38.9±0.5 10-24cm3
    Surface Tension: 50.5±5.0 dyne/cm
    Molar Volume: 293.0±5.0 cm3

    Click to predict properties on the Chemicalize site


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