Found 8 results

Search term: MF = 'C_{34}H_{49}NO_{2}'
ChemSpider 2D Image | (2S,4aR,4bS,6aS,6bR,11aS,11bS)-2-Hydroxy-9-(4-isopropylphenyl)-4a,6a-dimethyl-10-propyl-1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadecahydro-7H-naphtho[2',1':4,5]indeno[2,1-b]pyridin-7-one | C34H49NO2

(2S,4aR,4bS,6aS,6bR,11aS,11bS)-2-Hydroxy-9-(4-isopropylphenyl)-4a,6a-dimethyl-10-propyl-1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadecahydro-7H-naphtho[2',1':4,5]indeno[2,1-b]pyridin-7-one

  • Molecular FormulaC34H49NO2
  • Average mass503.758 Da
  • Monoisotopic mass503.376343 Da
  • ChemSpider ID26344288

  • defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(2S,4aR,4bS,6aS,6bR,11aS,11bS)-2-Hydroxy-9-(4-isopropylphenyl)-4a,6a-dimethyl-10-propyl-1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadecahydro-7H-naphtho[2',1':4,5]indeno[2,1-b]pyridin-7-on [German] [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,6bR,11aS,11bS)-2-Hydroxy-9-(4-isopropylphenyl)-4a,6a-dimethyl-10-propyl-1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadecahydro-7H-naphtho[2',1':4,5]indeno[2,1-b]pyridin-7-one [ACD/IUPAC Name]
(2S,4aR,4bS,6aS,6bR,11aS,11bS)-2-Hydroxy-9-(4-isopropylphényl)-4a,6a-diméthyl-10-propyl-1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadécahydro-7H-naphto[2',1':4,5]indéno[2,1-b]pyridin-7-one [French] [ACD/IUPAC Name]
7H-Naphth[2',1':4,5]indeno[2,1-b]pyridin-7-one, 1,2,3,4,4a,4b,5,6,6a,6b,8,9,10,10a,11,11a,11b,12-octadecahydro-2-hydroxy-4a,6a-dimethyl-9-[4-(1-methylethyl)phenyl]-10-propyl-, (2S,4aR,4bS,6aS,6bR,11aS ,11bS)- [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: 622.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.0±3.0 kJ/mol
Flash Point: 330.3±31.5 °C
Index of Refraction: 1.586
Molar Refractivity: 151.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 7.93
ACD/LogD (pH 5.5): 5.58
ACD/BCF (pH 5.5): 3704.20
ACD/KOC (pH 5.5): 3761.73
ACD/LogD (pH 7.4): 7.13
ACD/BCF (pH 7.4): 133176.70
ACD/KOC (pH 7.4): 135244.83
Polar Surface Area: 41 Å2
Polarizability: 60.0±0.5 10-24cm3
Surface Tension: 47.9±5.0 dyne/cm
Molar Volume: 450.4±5.0 cm3

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