ChemSpider 2D Image | (1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-11-Methoxy-1,2,6a,6b,9,9,15a-heptamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxylic acid | C37H51NO3

(1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-11-Methoxy-1,2,6a,6b,9,9,15a-heptamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxylic acid

  • Molecular FormulaC37H51NO3
  • Average mass557.806 Da
  • Monoisotopic mass557.386902 Da
  • ChemSpider ID58133591

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-11-Methoxy-1,2,6a,6b,9,9,15a-heptamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazol-4a-carbonsäure [German] [ACD/IUPAC Name]
(1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-11-Methoxy-1,2,6a,6b,9,9,15a-heptamethyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-4aH-chryseno[2,1-b]carbazole-4a-carboxylic acid [ACD/IUPAC Name]
4aH-Chryseno[2,1-b]carbazole-4a-carboxylic acid, 1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadecahydro-11-methoxy-1,2,6a,6b,9,9,15a-heptamethyl-, (1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)- [ACD/Index Name]
Acide (1S,2R,4aS,6aS,6bR,8aR,15aR,15bR,17bS)-11-méthoxy-1,2,6a,6b,9,9,15a-heptaméthyl-1,2,3,4,5,6,6a,6b,7,8,8a,9,10,15,15a,15b,16,17b-octadécahydro-4aH-chryséno[2,1-b]carbazole-4a-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 672.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.7±3.0 kJ/mol
Flash Point: 360.2±31.5 °C
Index of Refraction: 1.609
Molar Refractivity: 165.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 11.43
ACD/LogD (pH 5.5): 9.96
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2486204.75
ACD/LogD (pH 7.4): 8.16
ACD/BCF (pH 7.4): 213199.36
ACD/KOC (pH 7.4): 39288.89
Polar Surface Area: 62 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 51.3±5.0 dyne/cm
Molar Volume: 477.7±5.0 cm3

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