ChemSpider 2D Image | Methyl (2R,3aR,4aR,5R,5aR,6S,9aS,10R,10aS)-5-acetoxy-2-(3-furyl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carbo xylate | C30H36O9

Methyl (2R,3aR,4aR,5R,5aR,6S,9aS,10R,10aS)-5-acetoxy-2-(3-furyl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carbo xylate

  • Molecular FormulaC30H36O9
  • Average mass540.601 Da
  • Monoisotopic mass540.235962 Da
  • ChemSpider ID107445494

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(2R,3aR,4aR,5R,5aR,6S,9aS,10R,10aS)-5-Acétoxy-2-(3-furyl)-10-(2-méthoxy-2-oxoéthyl)-1,6,9a,10a-tétraméthyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-décahydro-2H-cyclopenta[b]naphto[2,3-d]furane-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]naphtho[2,3-d]furan-10-acetic acid, 5-(acetyloxy)-2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-, methyl ester, (2R,3aR,4aR,5R,5aR ,6S,9aS,10R,10aS)- [ACD/Index Name]
Methyl (2R,3aR,4aR,5R,5aR,6S,9aS,10R,10aS)-5-acetoxy-2-(3-furyl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carbo xylate [ACD/IUPAC Name]
Methyl-(2R,3aR,4aR,5R,5aR,6S,9aS,10R,10aS)-5-acetoxy-2-(3-furyl)-10-(2-methoxy-2-oxoethyl)-1,6,9a,10a-tetramethyl-9-oxo-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-2H-cyclopenta[b]naphtho[2,3-d]furan-6-carbo xylat [German] [ACD/IUPAC Name]
130855-57-1 [RN]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 606.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.1±3.0 kJ/mol
Flash Point: 320.4±31.5 °C
Index of Refraction: 1.567
Molar Refractivity: 138.1±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1667.77
ACD/KOC (pH 5.5): 7046.98
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1667.77
ACD/KOC (pH 7.4): 7046.98
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 423.1±5.0 cm3

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