ChemSpider 2D Image | 4-Hydroxy-4a,8,9'-trimethyl-4'-methylene-4,4a,7a,8,9,9a-hexahydro-5'H,14'H-spiro[azuleno[6,5-b]furan-3,13'-[6]oxatetracyclo[9.2.2.0~1,10~.0~3,7~]pentadecane]-2,5,5',14'(3aH)-tetrone | C29H34O7

4-Hydroxy-4a,8,9'-trimethyl-4'-methylene-4,4a,7a,8,9,9a-hexahydro-5'H,14'H-spiro[azuleno[6,5-b]furan-3,13'-[6]oxatetracyclo[9.2.2.01,10.03,7]pentadecane]-2,5,5',14'(3aH)-tetrone

  • Molecular FormulaC29H34O7
  • Average mass494.576 Da
  • Monoisotopic mass494.230438 Da
  • ChemSpider ID25037274

  • defined stereocentres - 13 of 13 defined stereocentres

More details:

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

4-Hydroxy-4a,8,9'-trimethyl-4'-methylene-4,4a,7a,8,9,9a-hexahydro-5'H,14'H-spiro[azuleno[6,5-b]furan-3,13'-[6]oxatetracyclo[9.2.2.01,10.03,7]pentadecane]-2,5,5',14'(3aH)-tetrone [ACD/IUPAC Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 748.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.7 mmHg at 25°C
Enthalpy of Vaporization: 124.6±6.0 kJ/mol
Flash Point: 251.8±26.4 °C
Index of Refraction: 1.613
Molar Refractivity: 126.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.11
ACD/LogD (pH 5.5): 1.35
ACD/BCF (pH 5.5): 6.29
ACD/KOC (pH 5.5): 129.84
ACD/LogD (pH 7.4): 1.35
ACD/BCF (pH 7.4): 6.29
ACD/KOC (pH 7.4): 129.84
Polar Surface Area: 107 Å2
Polarizability: 50.3±0.5 10-24cm3
Surface Tension: 58.2±5.0 dyne/cm
Molar Volume: 364.0±5.0 cm3

Click to predict properties on the Chemicalize site


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