ChemSpider 2D Image | (1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetoxy-4-(acetoxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate | C41H50O14

(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetoxy-4-(acetoxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate

  • Molecular FormulaC41H50O14
  • Average mass766.827 Da
  • Monoisotopic mass766.320068 Da
  • ChemSpider ID62785252

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetoxy-4-(acetoxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl (2E)-3-phenylacrylate [ACD/IUPAC Name]
(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetoxy-4-(acetoxymethyl)-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl-(2E)-3-phenylacrylat [German] [ACD/IUPAC Name]
(2E)-3-Phénylacrylate de (1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentaacétoxy-4-(acétoxyméthyl)-8,12,15,15-tétraméthylbicyclo[9.3.1]pentadéca-3,8,11-trién-5-yle [French] [ACD/IUPAC Name]
2-Propenoic acid, 3-phenyl-, (1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-pentakis(acetyloxy)-4-[(acetyloxy)methyl]-8,12,15,15-tetramethylbicyclo[9.3.1]pentadeca-3,8,11-trien-5-yl ester, (2E)- [ACD/Index Name]
[(1R,2S,3E,5S,7S,8Z,10R,13S)-2,7,9,10,13-Pentaacetyloxy-4-(acetyloxymethyl)-8,12,15,15-tetramethyl-5-bicyclo[9.3.1]pentadeca-3,8,11-trienyl] (E)-3-phenylprop-2-enoate
194782-02-0 [RN]
CID 124511126
taxuspine X

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

Density: 1.2±0.1 g/cm3
Boiling Point: 774.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 112.7±3.0 kJ/mol
Flash Point: 307.5±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 196.1±0.4 cm3
#H bond acceptors: 14
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 3
ACD/LogP: 7.41
ACD/LogD (pH 5.5): 6.88
ACD/BCF (pH 5.5): 99486.49
ACD/KOC (pH 5.5): 131515.97
ACD/LogD (pH 7.4): 6.88
ACD/BCF (pH 7.4): 99486.49
ACD/KOC (pH 7.4): 131515.97
Polar Surface Area: 184 Å2
Polarizability: 77.7±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 615.4±5.0 cm3

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