ChemSpider 2D Image | (1R,2R,5S,6S,7R,9R,12R)-5,8,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl 3-furoate | C26H34O10

(1R,2R,5S,6S,7R,9R,12R)-5,8,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl 3-furoate

  • Molecular FormulaC26H34O10
  • Average mass506.542 Da
  • Monoisotopic mass506.215210 Da
  • ChemSpider ID115611
  • defined stereocentres - 7 of 8 defined stereocentres


More details:






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

(1R,2R,5S,6S,7R,9R,12R)-5,8,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl 3-furoate [ACD/IUPAC Name]
(1R,2R,5S,6S,7R,9R,12R)-5,8,12-Triacetoxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl-3-furoat [German] [ACD/IUPAC Name]
3-Furancarboxylic acid, (3R,5R,5aS,6S,9R,9aR,10R)-4,6,10-tris(acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester [ACD/Index Name]
3-Furoate de (1R,2R,5S,6S,7R,9R,12R)-5,8,12-triacétoxy-2,6,10,10-tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodéc-7-yle [French] [ACD/IUPAC Name]
112516-44-6 [RN]
3-Furancarboxylic acid, 4,6,10-tris(acetyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester, (3R-(3α,4α,5β,5aα,6α,9α,9aα,10R*))-
Eumaitenine

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 550.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.0±3.0 kJ/mol
Flash Point: 286.4±30.1 °C
Index of Refraction: 1.537
Molar Refractivity: 124.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 5.25
ACD/LogD (pH 5.5): 4.99
ACD/BCF (pH 5.5): 3656.49
ACD/KOC (pH 5.5): 12360.49
ACD/LogD (pH 7.4): 4.99
ACD/BCF (pH 7.4): 3656.49
ACD/KOC (pH 7.4): 12360.49
Polar Surface Area: 128 Å2
Polarizability: 49.2±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 397.2±5.0 cm3

Click to predict properties on the Chemicalize site






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