ChemSpider 2D Image | (1R,6aS,8S,10aR,12aS)-10a,12a-Dimethyl-1-[(2R)-6-methyl-5-methylene-2-heptanyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydronaphtho[1,2-h]quinolin-8-ol | C28H45NO

(1R,6aS,8S,10aR,12aS)-10a,12a-Dimethyl-1-[(2R)-6-methyl-5-methylene-2-heptanyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydronaphtho[1,2-h]quinolin-8-ol

  • Molecular FormulaC28H45NO
  • Average mass411.663 Da
  • Monoisotopic mass411.350128 Da
  • ChemSpider ID88296924

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(1R,6aS,8S,10aR,12aS)-10a,12a-Dimethyl-1-[(2R)-6-methyl-5-methylen-2-heptanyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydronaphtho[1,2-h]chinolin-8-ol [German] [ACD/IUPAC Name]
(1R,6aS,8S,10aR,12aS)-10a,12a-Dimethyl-1-[(2R)-6-methyl-5-methylene-2-heptanyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydronaphtho[1,2-h]quinolin-8-ol [ACD/IUPAC Name]
(1R,6aS,8S,10aR,12aS)-10a,12a-Diméthyl-1-[(2R)-6-méthyl-5-méthylène-2-heptanyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tétradécahydronaphto[1,2-h]quinoléin-8-ol [French] [ACD/IUPAC Name]
Naphtho[1,2-h]quinolin-8-ol, 1-[(1R)-1,5-dimethyl-4-methylenehexyl]-1,2,3,5,6,6a,7,8,9,10,10a,11,12,12a-tetradecahydro-10a,12a-dimethyl-, (1R,6aS,8S,10aR,12aS)- [ACD/Index Name]
50686-98-1 [RN]
A25822B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 513.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.3±6.0 kJ/mol
Flash Point: 343.3±19.4 °C
Index of Refraction: 1.580
Molar Refractivity: 125.3±0.5 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.79
ACD/LogD (pH 5.5): 5.61
ACD/BCF (pH 5.5): 4053.68
ACD/KOC (pH 5.5): 4131.50
ACD/LogD (pH 7.4): 6.94
ACD/BCF (pH 7.4): 85564.74
ACD/KOC (pH 7.4): 87207.37
Polar Surface Area: 33 Å2
Polarizability: 49.7±0.5 10-24cm3
Surface Tension: 36.6±7.0 dyne/cm
Molar Volume: 376.5±7.0 cm3

Click to predict properties on the Chemicalize site


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