Found 62 results

Search term: MF = 'C_{35}H_{52}O_{5}'
ChemSpider 2D Image | (1R,3S,4R,5R,6S)-4-Methyl-1,3,6-tris(3-methyl-2-buten-1-yl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methyl-3-penten-1-yl)-7-oxabicyclo[4.2.1]nonane-8,9-dione | C35H52O5

(1R,3S,4R,5R,6S)-4-Methyl-1,3,6-tris(3-methyl-2-buten-1-yl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methyl-3-penten-1-yl)-7-oxabicyclo[4.2.1]nonane-8,9-dione

  • Molecular FormulaC35H52O5
  • Average mass552.784 Da
  • Monoisotopic mass552.381470 Da
  • ChemSpider ID28282433

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(1R,3S,4R,5R,6S)-4-Methyl-1,3,6-tris(3-methyl-2-buten-1-yl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methyl-3-penten-1-yl)-7-oxabicyclo[4.2.1]nonan-8,9-dion [German] [ACD/IUPAC Name]
(1R,3S,4R,5R,6S)-4-Methyl-1,3,6-tris(3-methyl-2-buten-1-yl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methyl-3-penten-1-yl)-7-oxabicyclo[4.2.1]nonane-8,9-dione [ACD/IUPAC Name]
(1R,3S,4R,5R,6S)-4-Méthyl-1,3,6-tris(3-méthyl-2-butén-1-yl)-5-(3-méthyl-2-oxobutanoyl)-4-(4-méthyl-3-pentén-1-yl)-7-oxabicyclo[4.2.1]nonane-8,9-dione [French] [ACD/IUPAC Name]
7-Oxabicyclo[4.2.1]nonane-8,9-dione, 4-methyl-1,3,6-tris(3-methyl-2-buten-1-yl)-5-(3-methyl-1,2-dioxobutyl)-4-(4-methyl-3-penten-1-yl)-, (1R,3S,4R,5R,6S)- [ACD/Index Name]
827319-50-6 [RN]
perforatumone

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

Density: 1.0±0.1 g/cm3
Boiling Point: 627.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.9±3.0 kJ/mol
Flash Point: 256.5±31.5 °C
Index of Refraction: 1.499
Molar Refractivity: 161.5±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.11
ACD/LogD (pH 5.5): 8.52
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1031565.69
ACD/LogD (pH 7.4): 8.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1031565.69
Polar Surface Area: 78 Å2
Polarizability: 64.0±0.5 10-24cm3
Surface Tension: 34.6±3.0 dyne/cm
Molar Volume: 549.5±3.0 cm3

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