ChemSpider 2D Image | Hyperibone I | C33H42O5

Hyperibone I

  • Molecular FormulaC33H42O5
  • Average mass518.684 Da
  • Monoisotopic mass518.303223 Da
  • ChemSpider ID9061077

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,3R,8R,10R)-6-Benzoyl-3-(2-hydroxy-2-propanyl)-11,11-dimethyl-8,10-bis(3-methyl-2-buten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-en-7,12-dion [German] [ACD/IUPAC Name]
(1R,3R,8R,10R)-6-Benzoyl-3-(2-hydroxy-2-propanyl)-11,11-dimethyl-8,10-bis(3-methyl-2-buten-1-yl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione [ACD/IUPAC Name]
(1R,3R,8R,10R)-6-Benzoyl-3-(2-hydroxy-2-propanyl)-11,11-diméthyl-8,10-bis(3-méthyl-2-butén-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, 9-benzoyl-2,3,4,5,6,7-hexahydro-2-(1-hydroxy-1-methylethyl)-4,4-dimethyl-5,7-bis(3-methyl-2-buten-1-yl)-, (2R,3aR,5R,7R)- [ACD/Index Name]
Hyperibone I

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

Density: 1.2±0.1 g/cm3
Boiling Point: 627.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.6±3.0 kJ/mol
Flash Point: 194.3±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 148.1±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 7.09
ACD/BCF (pH 5.5): 145177.91
ACD/KOC (pH 5.5): 172371.50
ACD/LogD (pH 7.4): 7.09
ACD/BCF (pH 7.4): 145177.91
ACD/KOC (pH 7.4): 172371.50
Polar Surface Area: 81 Å2
Polarizability: 58.7±0.5 10-24cm3
Surface Tension: 47.5±5.0 dyne/cm
Molar Volume: 449.0±5.0 cm3

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