Found 12 results

Search term: MF = 'C_{33}H_{47}NO_{2}'
ChemSpider 2D Image | (1R,3aS,5aR,5bR,7aR,13aR,13bR,15aR,15bR)-1-Isopropenyl-5a,5b,8,8,13a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadecahydro-3aH-cyclopenta[7,8]phenanthro[1,2-g]quinoline-3a-carbox ylic acid | C33H47NO2

(1R,3aS,5aR,5bR,7aR,13aR,13bR,15aR,15bR)-1-Isopropenyl-5a,5b,8,8,13a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadecahydro-3aH-cyclopenta[7,8]phenanthro[1,2-g]quinoline-3a-carbox ylic acid

  • Molecular FormulaC33H47NO2
  • Average mass489.732 Da
  • Monoisotopic mass489.360687 Da
  • ChemSpider ID31104287

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1R,3aS,5aR,5bR,7aR,13aR,13bR,15aR,15bR)-1-Isopropenyl-5a,5b,8,8,13a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadecahydro-3aH-cyclopenta[7,8]phenanthro[1,2-g]chinolin-3a-carbons äure [German] [ACD/IUPAC Name]
(1R,3aS,5aR,5bR,7aR,13aR,13bR,15aR,15bR)-1-Isopropenyl-5a,5b,8,8,13a-pentamethyl-1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadecahydro-3aH-cyclopenta[7,8]phenanthro[1,2-g]quinoline-3a-carbox ylic acid [ACD/IUPAC Name]
3aH-Cyclopenta[7,8]phenanthro[1,2-g]quinoline-3a-carboxylic acid, 1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadecahydro-5a,5b,8,8,13a-pentamethyl-1-(1-methylethenyl)-, (1R,3aS,5aR,5bR,7aR,13 aR,13bR,15aR,15bR)- [ACD/Index Name]
Acide (1R,3aS,5aR,5bR,7aR,13aR,13bR,15aR,15bR)-1-isopropényl-5a,5b,8,8,13a-pentaméthyl-1,2,3,4,5,5a,5b,6,7,7a,8,13,13a,13b,14,15,15a,15b-octadécahydro-3aH-cyclopenta[7,8]phénanthro[1,2-g]quinoléine-3a -carboxylique [French] [ACD/IUPAC 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: 587.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 92.2±3.0 kJ/mol
Flash Point: 308.9±30.1 °C
Index of Refraction: 1.551
Molar Refractivity: 145.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 10.01
ACD/LogD (pH 5.5): 7.66
ACD/BCF (pH 5.5): 161532.91
ACD/KOC (pH 5.5): 66163.96
ACD/LogD (pH 7.4): 6.52
ACD/BCF (pH 7.4): 11735.07
ACD/KOC (pH 7.4): 4806.69
Polar Surface Area: 50 Å2
Polarizability: 57.5±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 454.8±3.0 cm3

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