Found 24 results

Search term: MF = 'C_{36}H_{49}NO_{9}'
ChemSpider 2D Image | (1S,2S,3S,5S,8S,10R,11R)-2,11-Diacetoxy-1,10-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 | C36H49NO9

(1S,2S,3S,5S,8S,10R,11R)-2,11-Diacetoxy-1,10-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 FormulaC36H49NO9
  • Average mass639.776 Da
  • Monoisotopic mass639.340759 Da
  • ChemSpider ID8803261

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1S,2S,3S,5S,8S,10R,11R)-2,11-Diacetoxy-1,10-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]
(1S,2S,3S,5S,8S,10R,11R)-2,11-Diacetoxy-1,10-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 (1S,2S,3S,5S,8S,10R,11R)-2,11-diacétoxy-1,10-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,5S,6S,11R,12R,13aS)-5,11-bis(acetyloxy)-2,3,4,4a,5,6,7,8,11,12,13,13a-dodecahydro-6,12-dihydroxy-9,13a,14,14-tetramethyl-4-methylene-8-oxo-6,10-me thano-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: 701.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 107.8±3.0 kJ/mol
Flash Point: 377.8±32.9 °C
Index of Refraction: 1.572
Molar Refractivity: 171.1±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 8.82
ACD/KOC (pH 5.5): 38.92
ACD/LogD (pH 7.4): 3.93
ACD/BCF (pH 7.4): 430.64
ACD/KOC (pH 7.4): 1899.97
Polar Surface Area: 140 Å2
Polarizability: 67.8±0.5 10-24cm3
Surface Tension: 52.8±5.0 dyne/cm
Molar Volume: 519.9±5.0 cm3

Click to predict properties on the Chemicalize site


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