ChemSpider 2D Image | (1R,2R,6R,7R,8R,9R)-6-[(2R)-1-Hydroxy-2-propanyl]-9-methyl-3,13-bis(methylene)-12-oxo-15-oxatricyclo[6.6.1.0~2,7~]pentadec-9-yl 2-acetoxybutanoate | C26H38O7

(1R,2R,6R,7R,8R,9R)-6-[(2R)-1-Hydroxy-2-propanyl]-9-methyl-3,13-bis(methylene)-12-oxo-15-oxatricyclo[6.6.1.02,7]pentadec-9-yl 2-acetoxybutanoate

  • Molecular FormulaC26H38O7
  • Average mass462.576 Da
  • Monoisotopic mass462.261749 Da
  • ChemSpider ID35516985

  • defined stereocentres - 7 of 8 defined stereocentres

More details:

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

(1R,2R,6R,7R,8R,9R)-6-[(2R)-1-Hydroxy-2-propanyl]-9-methyl-3,13-bis(methylene)-12-oxo-15-oxatricyclo[6.6.1.02,7]pentadec-9-yl 2-acetoxybutanoate [ACD/IUPAC Name]
(1R,2R,6R,7R,8R,9R)-6-[(2R)-1-Hydroxy-2-propanyl]-9-methyl-3,13-dimethylen-12-oxo-15-oxatricyclo[6.6.1.02,7]pentadec-9-yl-2-acetoxybutanoat [German] [ACD/IUPAC Name]
2-Acétoxybutanoate de (1R,2R,6R,7R,8R,9R)-6-[(2R)-1-hydroxy-2-propanyl]-9-méthyl-3,13-diméthylène-12-oxo-15-oxatricyclo[6.6.1.02,7]pentadéc-9-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-(acetyloxy)-, (4R,4aR,5R,6R,12R,12aR)-tetradecahydro-4-[(1R)-2-hydroxy-1-methylethyl]-6-methyl-1,10-bis(methylene)-9-oxo-5,12-epoxybenzocyclodecen-6-yl ester [ACD/Index 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: 581.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.9±6.0 kJ/mol
Flash Point: 187.3±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 122.3±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 948.94
ACD/KOC (pH 5.5): 4706.60
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 948.94
ACD/KOC (pH 7.4): 4706.60
Polar Surface Area: 99 Å2
Polarizability: 48.5±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 399.2±5.0 cm3

Click to predict properties on the Chemicalize site


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