ChemSpider 2D Image | (3aR,8R,9R,10R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-15-ethyl-4,6,8,10,12,15a-hexamethyl-3-methylene-8-{[(2E)-3-phenyl-2-propen-1-yl]oxy}octahyd ro-2H-furo[2,3-c]oxacyclotetradecine-5,11,13(3H,6H,12H)-trione | C41H61NO9

(3aR,8R,9R,10R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-15-ethyl-4,6,8,10,12,15a-hexamethyl-3-methylene-8-{[(2E)-3-phenyl-2-propen-1-yl]oxy}octahyd ro-2H-furo[2,3-c]oxacyclotetradecine-5,11,13(3H,6H,12H)-trione

  • Molecular FormulaC41H61NO9
  • Average mass711.924 Da
  • Monoisotopic mass711.434631 Da
  • ChemSpider ID9586364

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 13 defined stereocentres

More details:

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

(3aR,8R,9R,10R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-15-ethyl-4,6,8,10,12,15a-hexamethyl-3-methylen-8-{[(2E)-3-phenyl-2-propen-1-yl]oxy}octahydr o-2H-furo[2,3-c]oxacyclotetradecin-5,11,13(3H,6H,12H)-trion [German] [ACD/IUPAC Name]
(3aR,8R,9R,10R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(Dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-15-ethyl-4,6,8,10,12,15a-hexamethyl-3-methylene-8-{[(2E)-3-phenyl-2-propen-1-yl]oxy}octahyd ro-2H-furo[2,3-c]oxacyclotetradecine-5,11,13(3H,6H,12H)-trione [ACD/IUPAC Name]
(3aR,8R,9R,10R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(Diméthylamino)-3-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-15-éthyl-4,6,8,10,12,15a-hexaméthyl-3-méthylène-8-{[(2E)-3-phényl-2-propén-1-yl]oxy}octahyd ro-2H-furo[2,3-c]oxacyclotétradécine-5,11,13(3H,6H,12H)-trione [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 809.7±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 123.4±3.0 kJ/mol
Flash Point: 443.5±34.3 °C
Index of Refraction: 1.545
Molar Refractivity: 196.4±0.4 cm3
#H bond acceptors: 10
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 3
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 30.81
ACD/KOC (pH 5.5): 82.03
ACD/LogD (pH 7.4): 4.74
ACD/BCF (pH 7.4): 1569.91
ACD/KOC (pH 7.4): 4180.47
Polar Surface Area: 121 Å2
Polarizability: 77.9±0.5 10-24cm3
Surface Tension: 46.5±5.0 dyne/cm
Molar Volume: 620.8±5.0 cm3

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