ChemSpider 2D Image | (1S,3S,8R,9R,10S)-3-(2-Hydroxy-2-propanyl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.0~1,5~]dodec-5-ene-7,12-dione | C36H54O5

(1S,3S,8R,9R,10S)-3-(2-Hydroxy-2-propanyl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID17253180
  • defined stereocentres - 5 of 6 defined stereocentres


More details:






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

(1S,3S,8R,9R,10S)-3-(2-Hydroxy-2-propanyl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-en-7,12-dion [German] [ACD/IUPAC Name]
(1S,3S,8R,9R,10S)-3-(2-Hydroxy-2-propanyl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methyl-2-buten-1-yl)-9-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione [ACD/IUPAC Name]
(1S,3S,8R,9R,10S)-3-(2-Hydroxy-2-propanyl)-9-méthyl-8-(2-méthylbutanoyl)-6,10-bis(3-méthyl-2-butén-1-yl)-9-(4-méthyl-3-pentén-1-yl)-4-oxatricyclo[6.3.1.01,5]dodéc-5-ène-7,12-dione [French] [ACD/IUPAC Name]
8H-3a,7-Methanocycloocta[b]furan-8,10-dione, 2,3,4,5,6,7-hexahydro-2-(1-hydroxy-1-methylethyl)-6-methyl-5,9-bis(3-methyl-2-buten-1-yl)-7-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (2S,3aS,5S,6 R,7R)- [ACD/Index Name]
(1S,3S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-8-(2-methylbutanoyl)-6,10-bis(3-methylbut-2-en-1-yl)-9-(4-methylpent-3-en-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
8H-3a,7-methanocycloocta[b]furan-8,10-dione, 2,3,4,5,6,7-hexahydro-2-(1-hydroxy-1-methylethyl)-6-methyl-5,9-bis(3-methyl-2-buten-1-yl)-7-(2-methyl-1-oxobutyl)-6-(4-methyl-3-penten-1-yl)-, (2S,3aS,5S,6

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

Density: 1.1±0.1 g/cm3
Boiling Point: 659.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 111.1±6.0 kJ/mol
Flash Point: 195.9±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 164.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 10.17
ACD/LogD (pH 5.5): 9.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2767855.75
ACD/LogD (pH 7.4): 9.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2767855.75
Polar Surface Area: 81 Å2
Polarizability: 65.3±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 529.2±5.0 cm3

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