ChemSpider 2D Image | (1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.0~1,11~.0~2,6~.0~8,10~.0~12,16~]nonadec-3-e n-17-yl acetate | C32H46O10

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-e n-17-yl acetate

  • Molecular FormulaC32H46O10
  • Average mass590.702 Da
  • Monoisotopic mass590.309082 Da
  • ChemSpider ID35518445

  • defined stereocentres - 11 of 12 defined stereocentres

More details:

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

(1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-e 
n-17-yl acetate [ACD/IUPAC Name]
(1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-Dihydroxy-8-(hydroxymethyl)-16-isopropenyl-4,18-dimethyl-14-nonyl-5-oxo-9,13,15,19-tetraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16]nonadec-3-e 
n-17-yl-acetat [German] [ACD/IUPAC Name]
6H-2,8b-Epoxyoxireno[6,7]azuleno[5,4-e]-1,3-benzodioxol-6-one, 10-(acetyloxy)-3a,3b,3c,4a,5,5a,8a,9,10,10a-decahydro-5,5a-dihydroxy-4a-(hydroxymethyl)-7,9-dimethyl-10a-(1-methylethenyl)-2-nonyl-, (2R, 3aR,3bS,3cS,4aR,5S,5aS,8aR,8bR,9R,10R,10aS)- [ACD/Index Name]
Acétate de (1R,2R,6S,7S,8R,10S,11S,12R,14R,16S,17R,18R)-6,7-dihydroxy-8-(hydroxyméthyl)-16-isopropényl-4,18-diméthyl-14-nonyl-5-oxo-9,13,15,19-tétraoxahexacyclo[12.4.1.01,11.02,6.08,10.012,16] nonadéc-3-én-17-yle [French] [ACD/IUPAC Name]
Gnidiglaucin

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.4±6.0 kJ/mol
Flash Point: 219.8±26.4 °C
Index of Refraction: 1.586
Molar Refractivity: 150.6±0.4 cm3
#H bond acceptors: 10
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 3
ACD/LogP: 8.28
ACD/LogD (pH 5.5): 7.28
ACD/BCF (pH 5.5): 199200.17
ACD/KOC (pH 5.5): 216175.72
ACD/LogD (pH 7.4): 7.28
ACD/BCF (pH 7.4): 199164.08
ACD/KOC (pH 7.4): 216136.56
Polar Surface Area: 144 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 57.4±5.0 dyne/cm
Molar Volume: 448.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement