ChemSpider 2D Image | Methyl (7alpha,16E,20beta)-7-hydroxy-9-methoxy-16-(methoxymethylene)-1,2-didehydro-2,7-dihydrocorynan-17-oate | C23H30N2O5

Methyl (7α,16E,20β)-7-hydroxy-9-methoxy-16-(methoxymethylene)-1,2-didehydro-2,7-dihydrocorynan-17-oate

  • Molecular FormulaC23H30N2O5
  • Average mass414.495 Da
  • Monoisotopic mass414.215485 Da
  • ChemSpider ID23152144
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres


More details:






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

(7α,16E,20β)-7-Hydroxy-9-méthoxy-16-(méthoxyméthylène)-1,2-didéhydro-2,7-dihydrocorynan-17-oate de méthyle [French] [ACD/IUPAC Name]
Indolo[2,3-a]quinolizine-2-acetic acid, 3-ethyl-1,2,3,4,6,7,7a,12b-octahydro-7a-hydroxy-8-methoxy-α-(methoxymethylene)-, methyl ester, (αE,2S,3S,7aS,12bS)- [ACD/Index Name]
Methyl (7α,16E,20β)-7-hydroxy-9-methoxy-16-(methoxymethylene)-1,2-didehydro-2,7-dihydrocorynan-17-oate [ACD/IUPAC Name]
methyl (7α,16E,20β)-7-hydroxy-9-methoxy-16-(methoxymethylidene)-1,2-didehydro-2,7-dihydrocorynan-17-oate
Methyl-(7α,16E,20β)-7-hydroxy-9-methoxy-16-(methoxymethylen)-1,2-didehydro-2,7-dihydrocorynan-17-oat [German] [ACD/IUPAC Name]
174418-82-7 [RN]
2-(3-Ethyl-7a-hydroxy-8-methoxy-1,2,3,4,6,7,7a,12b-octahydro-indolo[2,3-a]quinolizin-2-yl)-3-methoxy-acrylic acid methyl ester
7-HYDROXYMITRAGYNINE
UNII-2T3TWA75R0

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 567.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.6±3.0 kJ/mol
Flash Point: 297.0±30.1 °C
Index of Refraction: 1.611
Molar Refractivity: 111.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.44
ACD/LogD (pH 5.5): 1.37
ACD/BCF (pH 5.5): 4.22
ACD/KOC (pH 5.5): 59.37
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 22.88
ACD/KOC (pH 7.4): 321.70
Polar Surface Area: 81 Å2
Polarizability: 44.0±0.5 10-24cm3
Surface Tension: 45.4±7.0 dyne/cm
Molar Volume: 320.0±7.0 cm3

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