Found 23 results

Search term: MF = 'C_{37}H_{47}NO_{4}'
ChemSpider 2D Image | (2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)-8-(2-Hydroxy-2-propanyl)-2-isopropenyl-14b,14c-dimethyl-10-methylene-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-4bH-chromeno[5',6':6,7]in deno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indole-3,4b-diol | C37H47NO4

(2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)-8-(2-Hydroxy-2-propanyl)-2-isopropenyl-14b,14c-dimethyl-10-methylene-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-4bH-chromeno[5',6':6,7]in deno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indole-3,4b-diol

  • Molecular FormulaC37H47NO4
  • Average mass569.773 Da
  • Monoisotopic mass569.350525 Da
  • ChemSpider ID76771135

  • defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)-8-(2-Hydroxy-2-propanyl)-2-isopropenyl-14b,14c-dimethyl-10-methylen-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-4bH-chromeno[5',6':6,7]ind eno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indol-3,4b-diol [German] [ACD/IUPAC Name]
(2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)-8-(2-Hydroxy-2-propanyl)-2-isopropenyl-14b,14c-dimethyl-10-methylene-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-4bH-chromeno[5',6':6,7]in deno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indole-3,4b-diol [ACD/IUPAC Name]
(2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)-8-(2-Hydroxy-2-propanyl)-2-isopropényl-14b,14c-diméthyl-10-méthylène-2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadécahydro-4bH-chroméno[5',6':6,7]in déno[1,2-b]cyclobuta[5,6]benzo[1,2-e]indole-3,4b-diol [French] [ACD/IUPAC Name]
4bH-1-Benzopyrano[5',6':6,7]indeno[1,2-b]cyclobuta[5,6]benz[1,2-e]indole-3,4b-diol, 2,3,5,6,6a,7,7d,8,9,9a,10,11,14,14b,14c,15,16,16a-octadecahydro-8-(1-hydroxy-1-methylethyl)-14b,14c-dimethyl-10-meth ylene-2-(1-methylethenyl)-, (2R,3R,4bS,6aS,7dS,8S,9aS,14bS,14cR,16aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 723.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.9±3.0 kJ/mol
Flash Point: 391.4±32.9 °C
Index of Refraction: 1.661
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.73
ACD/LogD (pH 5.5): 6.72
ACD/BCF (pH 5.5): 75166.65
ACD/KOC (pH 5.5): 107606.48
ACD/LogD (pH 7.4): 6.72
ACD/BCF (pH 7.4): 75166.81
ACD/KOC (pH 7.4): 107606.71
Polar Surface Area: 86 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 60.4±5.0 dyne/cm
Molar Volume: 447.1±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement