ChemSpider 2D Image | (4aS,6aR,12aS,12bR)-4a,6a,12a-Trimethyl-4-methylene-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-10-ol | C21H28O2

(4aS,6aR,12aS,12bR)-4a,6a,12a-Trimethyl-4-methylene-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-10-ol

  • Molecular FormulaC21H28O2
  • Average mass312.446 Da
  • Monoisotopic mass312.208923 Da
  • ChemSpider ID40256903

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aS,6aR,12aS,12bR)-4a,6a,12a-Trimethyl-4-methylen-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-10-ol [German] [ACD/IUPAC Name]
(4aS,6aR,12aS,12bR)-4a,6a,12a-Trimethyl-4-methylene-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H-benzo[a]xanthen-10-ol [ACD/IUPAC Name]
(4aS,6aR,12aS,12bR)-4a,6a,12a-Triméthyl-4-méthylène-1,3,4,4a,5,6,6a,12,12a,12b-décahydro-2H-benzo[a]xanthén-10-ol [French] [ACD/IUPAC Name]
2H-Benzo[a]xanthen-10-ol, 1,3,4,4a,5,6,6a,12,12a,12b-decahydro-4a,6a,12a-trimethyl-4-methylene-, (4aS,6aR,12aS,12bR)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.5±3.0 kJ/mol
Flash Point: 182.5±23.0 °C
Index of Refraction: 1.581
Molar Refractivity: 92.9±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 6.76
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38269.42
ACD/KOC (pH 5.5): 66372.34
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38235.82
ACD/KOC (pH 7.4): 66314.07
Polar Surface Area: 29 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 278.8±5.0 cm3

Click to predict properties on the Chemicalize site


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