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Search term: OERIRRVIVJKMAN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (6aS)-2,10-Dimethoxy-6a-methyl-5,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodecahydro-4bH-naphtho[2',1':4,5]indeno[1,2-b]quinoline | C27H33NO2

(6aS)-2,10-Dimethoxy-6a-methyl-5,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodecahydro-4bH-naphtho[2',1':4,5]indeno[1,2-b]quinoline

  • Molecular FormulaC27H33NO2
  • Average mass403.556 Da
  • Monoisotopic mass403.251129 Da
  • ChemSpider ID30650159

  • defined stereocentres - 1 of 6 defined stereocentres

More details:

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

(6aS)-2,10-Dimethoxy-6a-methyl-5,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodecahydro-4bH-naphtho[2',1':4,5]indeno[1,2-b]chinolin [German] [ACD/IUPAC Name]
(6aS)-2,10-Dimethoxy-6a-methyl-5,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodecahydro-4bH-naphtho[2',1':4,5]indeno[1,2-b]quinoline [ACD/IUPAC Name]
(6aS)-2,10-Diméthoxy-6a-méthyl-5,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodécahydro-4bH-naphto[2',1':4,5]indéno[1,2-b]quinoléine [French] [ACD/IUPAC Name]
5H-Naphth[2',1':4,5]indeno[1,2-b]quinoline, 4b,6,6a,6b,7,12,12a,13,13a,13b,14,15-dodecahydro-2,10-dimethoxy-6a-methyl-, (6aS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 572.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.8±3.0 kJ/mol
Flash Point: 243.8±19.6 °C
Index of Refraction: 1.575
Molar Refractivity: 120.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 7.09
ACD/LogD (pH 5.5): 6.62
ACD/BCF (pH 5.5): 61155.51
ACD/KOC (pH 5.5): 89368.36
ACD/LogD (pH 7.4): 6.68
ACD/BCF (pH 7.4): 69792.02
ACD/KOC (pH 7.4): 101989.15
Polar Surface Area: 30 Å2
Polarizability: 47.6±0.5 10-24cm3
Surface Tension: 41.6±3.0 dyne/cm
Molar Volume: 363.0±3.0 cm3

Click to predict properties on the Chemicalize site


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