ChemSpider 2D Image | (1R,5R,7R,8R)-4-Hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione | C35H52O4

(1R,5R,7R,8R)-4-Hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione

  • Molecular FormulaC35H52O4
  • Average mass536.785 Da
  • Monoisotopic mass536.386536 Da
  • ChemSpider ID4450722

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1R,5R,7R,8R)-4-Hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-en-2,9-dion [German] [ACD/IUPAC Name]
(1R,5R,7R,8R)-4-Hydroxy-1-isobutyryl-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-8-(4-methyl-3-penten-1-yl)bicyclo[3.3.1]non-3-ene-2,9-dione [ACD/IUPAC Name]
(1R,5R,7R,8R)-4-Hydroxy-1-isobutyryl-8-méthyl-3,5,7-tris(3-méthyl-2-butén-1-yl)-8-(4-méthyl-3-pentén-1-yl)bicyclo[3.3.1]non-3-ène-2,9-dione [French] [ACD/IUPAC Name]
Bicyclo[3.3.1]non-3-ene-2,9-dione, 4-hydroxy-8-methyl-3,5,7-tris(3-methyl-2-buten-1-yl)-1-(2-methyl-1-oxopropyl)-8-(4-methyl-3-penten-1-yl)-, (1R,5R,7R,8R)- [ACD/Index Name]
4-HYDROXY-5-ISOBUTYRYL-6-METHYL-1,3,7-TRIS-(3-METHYL-BUT-2-ENYL)-6-(4-METHYL-PENT-3-ENYL)-BICYCLO[3.3.1]NON-3-ENE-2,9-DIONE
HYF
Hyperforin [Wiki]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 616.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 340.9±28.0 °C
Index of Refraction: 1.518
Molar Refractivity: 161.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 12.38
ACD/LogD (pH 5.5): 9.22
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 827354.63
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 57991.05
ACD/KOC (pH 7.4): 14272.15
Polar Surface Area: 71 Å2
Polarizability: 63.8±0.5 10-24cm3
Surface Tension: 36.6±3.0 dyne/cm
Molar Volume: 531.1±3.0 cm3

Click to predict properties on the Chemicalize site


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