Found 78 results

Search term: MF = 'C_{29}H_{34}O_{8}'
ChemSpider 2D Image | (1S,2R,5S,6S,7S,9R,12R)-5-Acetoxy-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.0~1,6~]dodec-7-yl 2-furoate | C29H34O8

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

  • Molecular FormulaC29H34O8
  • Average mass510.576 Da
  • Monoisotopic mass510.225372 Da
  • ChemSpider ID8705104

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1S,2R,5S,6S,7S,9R,12R)-5-Acetoxy-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl 2-furoate [ACD/IUPAC Name]
(1S,2R,5S,6S,7S,9R,12R)-5-Acetoxy-12-(benzoyloxy)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodec-7-yl-2-furoat [German] [ACD/IUPAC Name]
2-Furancarboxylic acid, (3R,5S,5aS,6S,9R,9aS,10R)-6-(acetyloxy)-10-(benzoyloxy)octahydro-2,2,5a,9-tetramethyl-2H-3,9a-methano-1-benzoxepin-5-yl ester [ACD/Index Name]
2-Furoate de (1S,2R,5S,6S,7S,9R,12R)-5-acétoxy-12-(benzoyloxy)-2,6,10,10-tétraméthyl-11-oxatricyclo[7.2.1.01,6]dodéc-7-yle [French] [ACD/IUPAC Name]
(3R,5S,5aS,6S,9R,9aS,10R)-6-(acetyloxy)-10-(benzoyloxy)-2,2,5a,9-tetramethyloctahydro-2H-3,9a-methano-1-benzoxepin-5-yl furan-2-carboxylate
1β-acetoxy-6α-benzoyloxy-9α-furoyloxydihydro-β-agarofuran

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

Density: 1.3±0.1 g/cm3
Boiling Point: 588.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.9±3.0 kJ/mol
Flash Point: 309.8±30.1 °C
Index of Refraction: 1.573
Molar Refractivity: 133.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.55
ACD/LogD (pH 5.5): 6.33
ACD/BCF (pH 5.5): 38002.07
ACD/KOC (pH 5.5): 66040.36
ACD/LogD (pH 7.4): 6.33
ACD/BCF (pH 7.4): 38002.07
ACD/KOC (pH 7.4): 66040.36
Polar Surface Area: 101 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 403.9±5.0 cm3

Click to predict properties on the Chemicalize site


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