ChemSpider 2D Image | (1S,2R,6R,7S,8R,9R)-6-Hydroxy-3,6,9,11-tetramethyl-5,10-dioxotricyclo[6.2.2.0~2,7~]dodeca-3,11-dien-9-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate | C26H32O7

(1S,2R,6R,7S,8R,9R)-6-Hydroxy-3,6,9,11-tetramethyl-5,10-dioxotricyclo[6.2.2.02,7]dodeca-3,11-dien-9-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate

  • Molecular FormulaC26H32O7
  • Average mass456.528 Da
  • Monoisotopic mass456.214813 Da
  • ChemSpider ID30653130

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1S,2R,6R,7S,8R,9R)-6-Hydroxy-3,6,9,11-tetramethyl-5,10-dioxotricyclo[6.2.2.02,7]dodeca-3,11-dien-9-yl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate [ACD/IUPAC Name]
(1S,2R,6R,7S,8R,9R)-6-Hydroxy-3,6,9,11-tetramethyl-5,10-dioxotricyclo[6.2.2.02,7]dodeca-3,11-dien-9-yl-(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptan-1-carboxylat [German] [ACD/IUPAC Name]
(1S,4R)-4,7,7-Triméthyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate de (1S,2R,6R,7S,8R,9R)-6-hydroxy-3,6,9,11-tétraméthyl-5,10-dioxotricyclo[6.2.2.02,7]dodéca-3,11-dién-9-yle [French] [ACD/IUPAC Name]
2-Oxabicyclo[2.2.1]heptane-1-carboxylic acid, 4,7,7-trimethyl-3-oxo-, (1S,4R,4aS,5R,8aR,9R)-1,4,4a,5,6,8a-hexahydro-5-hydroxy-2,5,8,9-tetramethyl-6,10-dioxo-1,4-ethanonaphthalen-9-yl ester, (1S,4R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 613.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.4±6.0 kJ/mol
Flash Point: 204.8±25.0 °C
Index of Refraction: 1.587
Molar Refractivity: 117.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.40
ACD/LogD (pH 5.5): 2.24
ACD/BCF (pH 5.5): 29.76
ACD/KOC (pH 5.5): 394.86
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.76
ACD/KOC (pH 7.4): 394.85
Polar Surface Area: 107 Å2
Polarizability: 46.4±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 348.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement