ChemSpider 2D Image | 25YF317R6S | C33H38N2O8

25YF317R6S

  • Molecular FormulaC33H38N2O8
  • Average mass590.663 Da
  • Monoisotopic mass590.262817 Da
  • ChemSpider ID4445395

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3β,16β,17α,18β,20α)-18-{[(2E)-3-(4-Hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}-11,17-diméthoxyyohimban-16-carboxylate de méthyle [French] [ACD/IUPAC Name]
[3b,16b,17a,18b(E),20a]-18-[[3-(4-Hydroxy-3-methoxyphenyl)-1-oxo-2-propenyl]oxy]-11,17-dimethoxyyohimban-16-carboxylic Acid Methyl Ester
11,17α-dimethoxy-16β-methoxycarbonyl-3β,20α-yohimban-18β-yl (E)-4-hydroxy-3-methoxycinnamat
25YF317R6S
73573-42-9 [RN]
Methyl (3β,16β,17α,18β,20α)-18-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-11,17-dimethoxyyohimban-16-carboxylate [ACD/IUPAC Name]
Methyl (3β,16β,17α,18β,20α)-18-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy}-11,17-dimethoxyyohimban-16-carboxylate
Methyl-(3β,16β,17α,18β,20α)-18-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}-11,17-dimethoxyjohimban-16-carboxylat [German] [ACD/IUPAC Name]
Rescimetol
Yohimban-16-carboxylic acid, 18-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]-11,17-dimethoxy-, methyl ester, (3β,16β,17α,18β,20α)- [ACD/Index Name]
More...

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

4939 [DBID]
WHO 4939 [DBID]
CD 3400 [DBID]
CD-3400 [DBID]
D01894 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 738.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.6±3.0 kJ/mol
Flash Point: 400.6±32.9 °C
Index of Refraction: 1.647
Molar Refractivity: 158.9±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 2.20
ACD/BCF (pH 5.5): 10.60
ACD/KOC (pH 5.5): 60.08
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 342.54
ACD/KOC (pH 7.4): 1942.00
Polar Surface Area: 120 Å2
Polarizability: 63.0±0.5 10-24cm3
Surface Tension: 64.7±5.0 dyne/cm
Molar Volume: 437.3±5.0 cm3

Click to predict properties on the Chemicalize site


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