ChemSpider 2D Image | (1S,2S,4S,9S,10R,11S,13R)-9,13-Diacetoxy-11,15,18,18-tetramethyl-6,12,16-trioxo-3,7-dioxatetracyclo[12.3.1.0~2,10~.0~4,9~]octadec-14-en-1-yl benzoate | C31H34O11

(1S,2S,4S,9S,10R,11S,13R)-9,13-Diacetoxy-11,15,18,18-tetramethyl-6,12,16-trioxo-3,7-dioxatetracyclo[12.3.1.02,10.04,9]octadec-14-en-1-yl benzoate

  • Molecular FormulaC31H34O11
  • Average mass582.595 Da
  • Monoisotopic mass582.210083 Da
  • ChemSpider ID9170670

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2S,4S,9S,10R,11S,13R)-9,13-Diacetoxy-11,15,18,18-tetramethyl-6,12,16-trioxo-3,7-dioxatetracyclo[12.3.1.02,10.04,9]octadec-14-en-1-yl benzoate [ACD/IUPAC Name]
(1S,2S,4S,9S,10R,11S,13R)-9,13-Diacetoxy-11,15,18,18-tetramethyl-6,12,16-trioxo-3,7-dioxatetracyclo[12.3.1.02,10.04,9]octadec-14-en-1-yl-benzoat [German] [ACD/IUPAC Name]
6,10-Methano-1H-cyclodeca[4,5]furo[3,2-c]pyran-3,8,12(4H,7H,11H)-trione, 11,13b-bis(acetyloxy)-6-(benzoyloxy)-4a,5a,6,13,13a,13b-hexahydro-9,13,14,14-tetramethyl-, (4aS,5aS,6S,11R,13S,13aR,13bS)- [ACD/Index Name]
Benzoate de (1S,2S,4S,9S,10R,11S,13R)-9,13-diacétoxy-11,15,18,18-tétraméthyl-6,12,16-trioxo-3,7-dioxatétracyclo[12.3.1.02,10.04,9]octadéc-14-én-1-yle [French] [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 717.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.9±3.0 kJ/mol
Flash Point: 299.6±32.9 °C
Index of Refraction: 1.580
Molar Refractivity: 143.1±0.4 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 3.87
ACD/LogD (pH 5.5): 3.29
ACD/BCF (pH 5.5): 186.38
ACD/KOC (pH 5.5): 1468.11
ACD/LogD (pH 7.4): 3.29
ACD/BCF (pH 7.4): 186.38
ACD/KOC (pH 7.4): 1468.11
Polar Surface Area: 149 Å2
Polarizability: 56.7±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 429.9±5.0 cm3

Click to predict properties on the Chemicalize site


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