ChemSpider 2D Image | (1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,35S)-13,28-Diisopropenyl-6,21-dimethyl-3,18,31,33,34,36-hexaoxaheptacyclo[17.11.2.2~4,16~.1~6,9~.1~21,24~.0~1,32~.0~16,35~]hexatriacontane-2,8,11,17,23,26-hexo ne | C38H48O12

(1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,35S)-13,28-Diisopropenyl-6,21-dimethyl-3,18,31,33,34,36-hexaoxaheptacyclo[17.11.2.24,16.16,9.121,24.01,32.016,35]hexatriacontane-2,8,11,17,23,26-hexo ne

  • Molecular FormulaC38H48O12
  • Average mass696.781 Da
  • Monoisotopic mass696.314575 Da
  • ChemSpider ID24713851

  • defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,35S)-13,28-Diisopropenyl-6,21-dimethyl-3,18,31,33,34,36-hexaoxaheptacyclo[17.11.2.24,16.16,9.121,24.01,32.016,35]hexatriacontan-2,8,11,17,23,26-hexon [German] [ACD/IUPAC Name]
(1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,35S)-13,28-Diisopropenyl-6,21-dimethyl-3,18,31,33,34,36-hexaoxaheptacyclo[17.11.2.24,16.16,9.121,24.01,32.016,35]hexatriacontane-2,8,11,17,23,26-hexo
 ne [ACD/IUPAC Name]
(1R,4R,6S,9R,13S,16R,19R,21S,24S,28S,32R,35S)-13,28-Diisopropényl-6,21-diméthyl-3,18,31,33,34,36-hexaoxaheptacyclo[17.11.2.24,16.16,9.121,24.01,32.016,35]hexatriacontane-2,8,11,17,23,26-hexo
 ne [French] [ACD/IUPAC Name]
3,18,31,33,34,36-Hexaoxaheptacyclo[17.11.2.24,16.16,9.121,24.01,32.016,35]hexatriacontane-2,8,11,17,23,26-hexone, 6,21-dimethyl-13,28-bis(1-methylethenyl)-, (1R,4R,6S,9R,13S,16R,19R,21S,24S, 28S,32R,35S)- [ACD/Index Name]
178062-99-2 [RN]
singardin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 880.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 127.9±3.0 kJ/mol
Flash Point: 354.9±34.3 °C
Index of Refraction: 1.571
Molar Refractivity: 173.8±0.4 cm3
#H bond acceptors: 12
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.66
ACD/BCF (pH 5.5): 10.75
ACD/KOC (pH 5.5): 190.52
ACD/LogD (pH 7.4): 1.66
ACD/BCF (pH 7.4): 10.75
ACD/KOC (pH 7.4): 190.52
Polar Surface Area: 164 Å2
Polarizability: 68.9±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 529.3±5.0 cm3

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