ChemSpider 2D Image | Berkedrimane A | C22H33NO5

Berkedrimane A

  • Molecular FormulaC22H33NO5
  • Average mass391.501 Da
  • Monoisotopic mass391.235870 Da
  • ChemSpider ID26333270

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(5aS,9S,9aS,9bR)-6,6,9a-Trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl N-acetyl-L-valinate [ACD/IUPAC Name]
(5aS,9S,9aS,9bR)-6,6,9a-Trimethyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-decahydronaphtho[1,2-c]furan-9-yl-N-acetyl-L-valinat [German] [ACD/IUPAC Name]
Berkedrimane A
L-Valine, N-acetyl-, (5aS,9S,9aS,9bR)-1,3,5,5a,6,7,8,9,9a,9b-decahydro-6,6,9a-trimethyl-3-oxonaphtho[1,2-c]furan-9-yl ester [ACD/Index Name]
N-Acétyl-L-valinate de (5aS,9S,9aS,9bR)-6,6,9a-triméthyl-3-oxo-1,3,5,5a,6,7,8,9,9a,9b-décahydronaphto[1,2-c]furan-9-yle [French] [ACD/IUPAC Name]
berkedrimane 1

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

Density: 1.1±0.1 g/cm3
Boiling Point: 560.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 292.7±30.1 °C
Index of Refraction: 1.527
Molar Refractivity: 104.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.40
ACD/KOC (pH 5.5): 1961.63
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.40
ACD/KOC (pH 7.4): 1961.63
Polar Surface Area: 82 Å2
Polarizability: 41.6±0.5 10-24cm3
Surface Tension: 43.1±5.0 dyne/cm
Molar Volume: 341.0±5.0 cm3

Click to predict properties on the Chemicalize site


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