ChemSpider 2D Image | (2S,3S,3aS,4R,9bR)-2-(1,3-Cyclohexadien-1-yl)-3-methyl-4-{[(2S,3S,3aS,4R,9bR)-3-methyl-2-phenyl-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromen-4-yl]oxy}-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromene | C36H36O5

(2S,3S,3aS,4R,9bR)-2-(1,3-Cyclohexadien-1-yl)-3-methyl-4-{[(2S,3S,3aS,4R,9bR)-3-methyl-2-phenyl-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromen-4-yl]oxy}-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromene

  • Molecular FormulaC36H36O5
  • Average mass548.668 Da
  • Monoisotopic mass548.256287 Da
  • ChemSpider ID74044876

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2S,3S,3aS,4R,9bR)-2-(1,3-Cyclohexadien-1-yl)-3-methyl-4-{[(2S,3S,3aS,4R,9bR)-3-methyl-2-phenyl-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromen-4-yl]oxy}-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromen [German] [ACD/IUPAC Name]
(2S,3S,3aS,4R,9bR)-2-(1,3-Cyclohexadien-1-yl)-3-methyl-4-{[(2S,3S,3aS,4R,9bR)-3-methyl-2-phenyl-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromen-4-yl]oxy}-2,3,3a,9b-tetrahydro-4H-furo[3,2-c]chromene [ACD/IUPAC Name]
(2S,3S,3aS,4R,9bR)-2-(1,3-Cyclohexadién-1-yl)-3-méthyl-4-{[(2S,3S,3aS,4R,9bR)-3-méthyl-2-phényl-2,3,3a,9b-tétrahydro-4H-furo[3,2-c]chromén-4-yl]oxy}-2,3,3a,9b-tétrahydro-4H-furo[3,2-c]chromène [French] [ACD/IUPAC Name]
4H-Furo[3,2-c][1]benzopyran, 2-(1,3-cyclohexadien-1-yl)-2,3,3a,9b-tetrahydro-3-methyl-4-[[(2S,3S,3aS,4R,9bR)-2,3,3a,9b-tetrahydro-3-methyl-2-phenyl-4H-furo[3,2-c][1]benzopyran-4-yl]oxy]-, (2S,3S,3aS,4 R,9bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 259.2±31.4 °C
Index of Refraction: 1.655
Molar Refractivity: 157.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 8.20
ACD/LogD (pH 5.5): 7.61
ACD/BCF (pH 5.5): 359475.13
ACD/KOC (pH 5.5): 329853.47
ACD/LogD (pH 7.4): 7.61
ACD/BCF (pH 7.4): 359475.13
ACD/KOC (pH 7.4): 329853.47
Polar Surface Area: 46 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 56.2±5.0 dyne/cm
Molar Volume: 429.0±5.0 cm3

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