ChemSpider 2D Image | (1R,3R,6S,7E,10S,11S,12E,14S,16R,20R,22S)-10,20-Dihydroxy-16-(hydroxymethyl)-12-(2-methoxy-2-oxoethylidene)-9,9-dimethyl-18-oxo-5,17,26,27,28-pentaoxatetracyclo[20.3.1.1~3,6~.1~10,14~]octacos-7-en-11- yl octanoate | C37H58O13

(1R,3R,6S,7E,10S,11S,12E,14S,16R,20R,22S)-10,20-Dihydroxy-16-(hydroxymethyl)-12-(2-methoxy-2-oxoethylidene)-9,9-dimethyl-18-oxo-5,17,26,27,28-pentaoxatetracyclo[20.3.1.13,6.110,14]octacos-7-en-11- yl octanoate

  • Molecular FormulaC37H58O13
  • Average mass710.849 Da
  • Monoisotopic mass710.387756 Da
  • ChemSpider ID9782026

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3R,6S,7E,10S,11S,12E,14S,16R,20R,22S)-10,20-Dihydroxy-16-(hydroxymethyl)-12-(2-methoxy-2-oxoethyliden)-9,9-dimethyl-18-oxo-5,17,26,27,28-pentaoxatetracyclo[20.3.1.13,6.110,14]octacos-7-en-11-y
 l-octanoat [German] [ACD/IUPAC Name]
(1R,3R,6S,7E,10S,11S,12E,14S,16R,20R,22S)-10,20-Dihydroxy-16-(hydroxymethyl)-12-(2-methoxy-2-oxoethylidene)-9,9-dimethyl-18-oxo-5,17,26,27,28-pentaoxatetracyclo[20.3.1.13,6.110,14]octacos-7-en-11-
 yl octanoate [ACD/IUPAC Name]
Octanoate de (1R,3R,6S,7E,10S,11S,12E,14S,16R,20R,22S)-10,20-dihydroxy-16-(hydroxyméthyl)-12-(2-méthoxy-2-oxoéthylidène)-9,9-diméthyl-18-oxo-5,17,26,27,28-pentaoxatétracyclo[20.3.1.13,6.110,14]oct acos-7-én-11-yle [French] [ACD/IUPAC 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: 825.1±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 136.5±6.0 kJ/mol
Flash Point: 247.0±27.8 °C
Index of Refraction: 1.548
Molar Refractivity: 181.8±0.4 cm3
#H bond acceptors: 13
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 3.93
ACD/LogD (pH 5.5): 4.20
ACD/BCF (pH 5.5): 923.11
ACD/KOC (pH 5.5): 4614.54
ACD/LogD (pH 7.4): 4.20
ACD/BCF (pH 7.4): 922.93
ACD/KOC (pH 7.4): 4613.66
Polar Surface Area: 177 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 572.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement