Found 28 results

Search term: MF = 'C_{41}H_{44}N_{2}O_{6}'
ChemSpider 2D Image | Methyl 11,12-bis[2-(1H-indol-2-yl)acetoxy]abieta-8,11,13-trien-20-oate | C41H44N2O6

Methyl 11,12-bis[2-(1H-indol-2-yl)acetoxy]abieta-8,11,13-trien-20-oate

  • Molecular FormulaC41H44N2O6
  • Average mass660.798 Da
  • Monoisotopic mass660.319946 Da
  • ChemSpider ID58121853

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

11,12-Bis[2-(1H-indol-2-yl)acétoxy]abiéta-8,11,13-trién-20-oate de méthyle [French] [ACD/IUPAC Name]
1H-Indole-2-acetic acid, (4bR,8aS)-4b,5,6,7,8,8a,9,10-octahydro-4b-(methoxycarbonyl)-8,8-dimethyl-2-(1-methylethyl)-3,4-phenanthrenediyl ester [ACD/Index Name]
Methyl 11,12-bis[2-(1H-indol-2-yl)acetoxy]abieta-8,11,13-trien-20-oate [ACD/IUPAC Name]
Methyl-11,12-bis[2-(1H-indol-2-yl)acetoxy]abieta-8,11,13-trien-20-oat [German] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL3343896/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 818.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 118.9±3.0 kJ/mol
Flash Point: 448.5±34.3 °C
Index of Refraction: 1.635
Molar Refractivity: 190.1±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 8.41
ACD/LogD (pH 5.5): 8.21
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 694226.56
ACD/LogD (pH 7.4): 8.21
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 694226.56
Polar Surface Area: 110 Å2
Polarizability: 75.4±0.5 10-24cm3
Surface Tension: 54.8±3.0 dyne/cm
Molar Volume: 530.6±3.0 cm3

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