ChemSpider 2D Image | ochrocarpinone A | C33H42O6

ochrocarpinone A

  • Molecular FormulaC33H42O6
  • Average mass534.683 Da
  • Monoisotopic mass534.298157 Da
  • ChemSpider ID10197002

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,9R,11S)-9-Benzoyl-5-hydroperoxy-4,4,10,10-tetramethyl-1,11-bis(3-methyl-2-buten-1-yl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-en-8,13-dion [German] [ACD/IUPAC Name]
(1R,9R,11S)-9-Benzoyl-5-hydroperoxy-4,4,10,10-tetramethyl-1,11-bis(3-methyl-2-buten-1-yl)-3-oxatricyclo[7.3.1.02,7]tridec-2(7)-ene-8,13-dione [ACD/IUPAC Name]
(1R,9R,11S)-9-Benzoyl-5-hydroperoxy-4,4,10,10-tétraméthyl-1,11-bis(3-méthyl-2-butén-1-yl)-3-oxatricyclo[7.3.1.02,7]tridéc-2(7)-ène-8,13-dione [French] [ACD/IUPAC Name]
6,10-Methano-5H-cycloocta[b]pyran-5,11-dione, 6-benzoyl-2,3,4,6,7,8,9,10-octahydro-3-hydroperoxy-2,2,7,7-tetramethyl-8,10-bis(3-methyl-2-buten-1-yl)-, (6R,8S,10R)- [ACD/Index Name]
ochrocarpinone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 653.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 101.1±3.0 kJ/mol
Flash Point: 203.2±25.0 °C
Index of Refraction: 1.573
Molar Refractivity: 149.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.09
ACD/LogD (pH 5.5): 8.37
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 851822.06
ACD/LogD (pH 7.4): 8.37
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 851779.94
Polar Surface Area: 90 Å2
Polarizability: 59.4±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 455.0±5.0 cm3

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