ChemSpider 2D Image | Methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-[(~2~H_3_)ethanoyloxy]-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-carboxylate | C30H33D3O9

Methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-[(2H3)ethanoyloxy]-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-carboxylate

  • Molecular FormulaC30H33D3O9
  • Average mass543.620 Da
  • Monoisotopic mass543.254761 Da
  • ChemSpider ID107448643

  • defined stereocentres - 9 of 9 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-[(2H3)Éthanoyloxy]-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, 2-(3-furanyl)-3,3a,4a,5,5a,6,9,9a,10,10a-decahydro-6-(methoxycarbonyl)-1,6,9a,10a-tetramethyl-9-oxo-5-[(1-oxoethyl-2,2,2-d3)oxy]-, methyl ester, ( 2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)- [ACD/Index Name]
Methyl (2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-[(2H3)ethanoyloxy]-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-carboxylate [ACD/IUPAC Name]
Methyl-(2R,3aR,4aS,5R,5aR,6R,9aR,10S,10aR)-5-[(2H3)ethanoyloxy]-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-carboxylat [German] [ACD/IUPAC 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: 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

Click to predict properties on the Chemicalize site


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