ChemSpider 2D Image | (7aS,8S)-7-Acetyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-yl acetate | C21H19NO5

(7aS,8S)-7-Acetyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-yl acetate

  • Molecular FormulaC21H19NO5
  • Average mass365.379 Da
  • Monoisotopic mass365.126312 Da
  • ChemSpider ID24699788

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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(7aS,8S)-7-Acetyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]chinolin-8-yl-acetat [German] [ACD/IUPAC Name]
(7aS,8S)-7-Acetyl-6,7,7a,8-tetrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinolin-8-yl acetate [ACD/IUPAC Name]
Acétate de (7aS,8S)-7-acétyl-6,7,7a,8-tétrahydro-5H-[1,3]benzodioxolo[6,5,4-de]benzo[g]quinoléin-8-yle [French] [ACD/IUPAC Name]
Ethanone, 1-[(7aS,8S)-8-(acetyloxy)-5,6,7a,8-tetrahydro-7H-1,3-benzodioxolo[6,5,4-de]benzo[g]quinolin-7-yl]- [ACD/Index Name]
N,O-diacetylnoroliveroline

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

Density: 1.4±0.1 g/cm3
Boiling Point: 561.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.5±3.0 kJ/mol
Flash Point: 293.5±30.1 °C
Index of Refraction: 1.668
Molar Refractivity: 96.3±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.39
ACD/LogD (pH 5.5): 3.52
ACD/BCF (pH 5.5): 279.82
ACD/KOC (pH 5.5): 1963.74
ACD/LogD (pH 7.4): 3.52
ACD/BCF (pH 7.4): 279.82
ACD/KOC (pH 7.4): 1963.74
Polar Surface Area: 65 Å2
Polarizability: 38.2±0.5 10-24cm3
Surface Tension: 65.2±5.0 dyne/cm
Molar Volume: 258.4±5.0 cm3

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