ChemSpider 2D Image | 2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl (2,6-dimethyl-4-morpholinyl)acetate | C32H49NO11

2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl (2,6-dimethyl-4-morpholinyl)acetate

  • Molecular FormulaC32H49NO11
  • Average mass623.732 Da
  • Monoisotopic mass623.330566 Da
  • ChemSpider ID9796395

  • defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(2,6-Diméthyl-4-morpholinyl)acétate de 2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-acétoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentaméthyl-1-oxo-3-vinyldodécahydro-1H-benzo[f]chromén-6-yl]oxy}-2-oxoéthyle [French] [ACD/IUPAC Name]
2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl (2,6-dimethyl-4-morpholinyl)acetate [ACD/IUPAC Name]
2-{[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-Acetoxy-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-3-vinyldodecahydro-1H-benzo[f]chromen-6-yl]oxy}-2-oxoethyl-(2,6-dimethyl-4-morpholinyl)acetat [German] [ACD/IUPAC Name]
4-Morpholineacetic acid, 2,6-dimethyl-, 2-[[(3R,4aR,5S,6S,6aS,10S,10aR,10bS)-5-(acetyloxy)-3-ethenyldodecahydro-10,10b-dihydroxy-3,4a,7,7,10a-pentamethyl-1-oxo-1H-naphtho[2,1-b]pyran-6-yl]oxy]-2-oxoet hyl ester [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: 682.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.8 mmHg at 25°C
Enthalpy of Vaporization: 114.5±6.0 kJ/mol
Flash Point: 366.5±31.5 °C
Index of Refraction: 1.551
Molar Refractivity: 157.9±0.4 cm3
#H bond acceptors: 12
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 3
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 4.18
ACD/BCF (pH 5.5): 856.66
ACD/KOC (pH 5.5): 4229.98
ACD/LogD (pH 7.4): 4.23
ACD/BCF (pH 7.4): 961.92
ACD/KOC (pH 7.4): 4749.76
Polar Surface Area: 158 Å2
Polarizability: 62.6±0.5 10-24cm3
Surface Tension: 53.0±5.0 dyne/cm
Molar Volume: 495.0±5.0 cm3

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