ChemSpider 2D Image | [(1R,2R,4aS,5R)-2-Acetoxy-5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl}-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl]methyl acetate | C32H41NO8

[(1R,2R,4aS,5R)-2-Acetoxy-5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl}-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl]methyl acetate

  • Molecular FormulaC32H41NO8
  • Average mass567.670 Da
  • Monoisotopic mass567.283203 Da
  • ChemSpider ID21270323

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

[(1R,2R,4aS,5R)-2-Acetoxy-5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl}-1,4a-dimethyl-6-methylendecahydro-1-naphthalinyl]methyl-acetat [German] [ACD/IUPAC Name]
[(1R,2R,4aS,5R)-2-Acetoxy-5-{2-[(1,3-benzodioxol-5-ylmethyl)amino]-2-(2-oxo-2,5-dihydro-3-furanyl)ethyl}-1,4a-dimethyl-6-methylenedecahydro-1-naphthalenyl]methyl acetate [ACD/IUPAC Name]
2(5H)-Furanone, 3-[2-[(1R,5R,6R,8aS)-6-(acetyloxy)-5-[(acetyloxy)methyl]decahydro-5,8a-dimethyl-2-methylene-1-naphthalenyl]-1-[(1,3-benzodioxol-5-ylmethyl)amino]ethyl]- [ACD/Index Name]
Acétate de [(1R,2R,4aS,5R)-2-acétoxy-5-{2-[(1,3-benzodioxol-5-ylméthyl)amino]-2-(2-oxo-2,5-dihydro-3-furanyl)éthyl}-1,4a-diméthyl-6-méthylènedécahydro-1-naphtalényl]méthyle [French] [ACD/IUPAC Name]
MFCD09664222

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

Density: 1.2±0.1 g/cm3
Boiling Point: 659.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 97.1±3.0 kJ/mol
Flash Point: 352.6±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 150.8±0.4 cm3
#H bond acceptors: 9
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 5.11
ACD/LogD (pH 5.5): 3.17
ACD/BCF (pH 5.5): 56.58
ACD/KOC (pH 5.5): 196.90
ACD/LogD (pH 7.4): 4.69
ACD/BCF (pH 7.4): 1880.07
ACD/KOC (pH 7.4): 6542.67
Polar Surface Area: 109 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 51.5±5.0 dyne/cm
Molar Volume: 456.5±5.0 cm3

Click to predict properties on the Chemicalize site


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