Found 62 results

Search term: MF = 'C_{35}H_{52}O_{5}'
ChemSpider 2D Image | (1S,3R,8S,10R,11R)-3-(2-Hydroxy-2-propanyl)-6-isobutyryl-11-methyl-8,10-bis(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.0~1,5~]dodec-5-ene-7,12-dione | C35H52O5

(1S,3R,8S,10R,11R)-3-(2-Hydroxy-2-propanyl)-6-isobutyryl-11-methyl-8,10-bis(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID76821112

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,3R,8S,10R,11R)-3-(2-Hydroxy-2-propanyl)-6-isobutyryl-11-methyl-8,10-bis(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-en-7,12-dion [German] [ACD/IUPAC Name]
(1S,3R,8S,10R,11R)-3-(2-Hydroxy-2-propanyl)-6-isobutyryl-11-methyl-8,10-bis(3-methyl-2-buten-1-yl)-11-(4-methyl-3-penten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione [ACD/IUPAC Name]
(1S,3R,8S,10R,11R)-3-(2-Hydroxy-2-propanyl)-6-isobutyryl-11-méthyl-8,10-bis(3-méthyl-2-butén-1-yl)-11-(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)-4-methyl-5,7-bis(3-methyl-2-buten-1-yl)-9-(2-methyl-1-oxopropyl)-4-(4-methyl-3-penten-1-yl)-, (2R,3aS,4R, 5R,7S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 648.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.5±6.0 kJ/mol
Flash Point: 194.3±25.0 °C
Index of Refraction: 1.536
Molar Refractivity: 160.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 9.01
ACD/LogD (pH 5.5): 8.36
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 839822.81
ACD/LogD (pH 7.4): 8.36
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 839822.81
Polar Surface Area: 81 Å2
Polarizability: 63.5±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 513.1±5.0 cm3

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