ChemSpider 2D Image | (3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromene-6,12(4H,5H)-dione | C22H30O6

(3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromene-6,12(4H,5H)-dione

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID30791714

  • defined stereocentres - 9 of 10 defined stereocentres

More details:

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

(3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromen-6,12(4H,5H)-dion [German] [ACD/IUPAC Name]
(3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Methoxy-4,7b,9,12a-tetramethyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromene-6,12(4H,5H)-dione [ACD/IUPAC Name]
(3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)-11-Méthoxy-4,7b,9,12a-tétraméthyl-3a,4a,7a,7b,8,8a,9,12a,12b,12c-décahydro[1,3]benzodioxolo[6,5,4-de]benzo[g]chromène-6,12(4H,5H)-dione [French] [ACD/IUPAC Name]
1,3-Dioxolo[3,4]phenanthro[10,1-bc]pyran-6,12(4H,5H)-dione, 3a,4a,7a,7b,8,8a,9,12a,12b,12c-decahydro-11-methoxy-4,7b,9,12a-tetramethyl-, (3aS,4aS,7aR,7bS,8aS,9S,12aS,12bS,12cS)- [ACD/Index Name]
Picrasin D

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

Density: 1.2±0.1 g/cm3
Boiling Point: 552.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.3±3.0 kJ/mol
Flash Point: 240.5±30.2 °C
Index of Refraction: 1.555
Molar Refractivity: 100.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.51
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.05
ACD/KOC (pH 5.5): 368.82
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.05
ACD/KOC (pH 7.4): 368.82
Polar Surface Area: 71 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 313.0±5.0 cm3

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