ChemSpider 2D Image | (1R,2R,3S,5S,8S,10R,11R)-10-Acetoxy-2,11-dihydroxy-8,13,16,16-tetramethyl-4-methylene-14-oxotricyclo[10.3.1.0~3,8~]hexadec-12-en-5-yl 3-(dimethylamino)-3-phenylpropanoate | C34H47NO7

(1R,2R,3S,5S,8S,10R,11R)-10-Acetoxy-2,11-dihydroxy-8,13,16,16-tetramethyl-4-methylene-14-oxotricyclo[10.3.1.03,8]hexadec-12-en-5-yl 3-(dimethylamino)-3-phenylpropanoate

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID9976045

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,2R,3S,5S,8S,10R,11R)-10-Acetoxy-2,11-dihydroxy-8,13,16,16-tetramethyl-4-methylen-14-oxotricyclo[10.3.1.03,8]hexadec-12-en-5-yl-3-(dimethylamino)-3-phenylpropanoat [German] [ACD/IUPAC Name]
(1R,2R,3S,5S,8S,10R,11R)-10-Acetoxy-2,11-dihydroxy-8,13,16,16-tetramethyl-4-methylene-14-oxotricyclo[10.3.1.03,8]hexadec-12-en-5-yl 3-(dimethylamino)-3-phenylpropanoate [ACD/IUPAC Name]
3-(Diméthylamino)-3-phénylpropanoate de (1R,2R,3S,5S,8S,10R,11R)-10-acétoxy-2,11-dihydroxy-8,13,16,16-tétraméthyl-4-méthylène-14-oxotricyclo[10.3.1.03,8]hexadéc-12-én-5-yle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, β-(dimethylamino)-, (3S,4aS,5R,6R,11R,12R,13aS)-12-(acetyloxy)-2,3,4,4a,5,6,7,8,11,12,13,13a-dodecahydro-5,11-dihydroxy-9,13a,14,14-tetramethyl-4-methylene-8-oxo-6,10-methano -1H-benzocycloundecen-3-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 676.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 104.3±3.0 kJ/mol
Flash Point: 363.0±31.5 °C
Index of Refraction: 1.573
Molar Refractivity: 159.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 4.22
ACD/LogD (pH 5.5): 2.25
ACD/BCF (pH 5.5): 8.94
ACD/KOC (pH 5.5): 39.31
ACD/LogD (pH 7.4): 3.94
ACD/BCF (pH 7.4): 436.49
ACD/KOC (pH 7.4): 1918.87
Polar Surface Area: 113 Å2
Polarizability: 63.4±0.5 10-24cm3
Surface Tension: 51.0±5.0 dyne/cm
Molar Volume: 485.5±5.0 cm3

Click to predict properties on the Chemicalize site


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