ChemSpider 2D Image | (17E)-11-[(1E)-1-(3,4-Dioxocyclohexyl)-1-propen-2-yl]-1-hydroxy-22,24-dimethoxy-12,16,18,20,26-pentamethyl-10,27-dioxa-4-azatricyclo[21.3.1.0~4,8~]heptacos-17-ene-2,3,9,15-tetrone | C40H59NO11

(17E)-11-[(1E)-1-(3,4-Dioxocyclohexyl)-1-propen-2-yl]-1-hydroxy-22,24-dimethoxy-12,16,18,20,26-pentamethyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacos-17-ene-2,3,9,15-tetrone

  • Molecular FormulaC40H59NO11
  • Average mass729.897 Da
  • Monoisotopic mass729.408813 Da
  • ChemSpider ID8115787
  • Double-bond stereo - Double-bond stereo


More details:






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

(17E)-11-[(1E)-1-(3,4-Dioxocyclohexyl)-1-propen-2-yl]-1-hydroxy-22,24-dimethoxy-12,16,18,20,26-pentamethyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacos-17-en-2,3,9,15-tetron [German] [ACD/IUPAC Name]
(17E)-11-[(1E)-1-(3,4-Dioxocyclohexyl)-1-propen-2-yl]-1-hydroxy-22,24-dimethoxy-12,16,18,20,26-pentamethyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacos-17-ene-2,3,9,15-tetrone [ACD/IUPAC Name]
(17E)-11-[(1E)-1-(3,4-Dioxocyclohexyl)-1-propén-2-yl]-1-hydroxy-22,24-diméthoxy-12,16,18,20,26-pentaméthyl-10,27-dioxa-4-azatricyclo[21.3.1.04,8]heptacos-17-ène-2,3,9,15-tétrone [French] [ACD/IUPAC Name]
15,19-Epoxy-1H,3H-pyrrolo[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H)-tetrone, 3-[(E)-2-(3,4-dioxocyclohexyl)-1-methylethenyl]-5,6,8,11,12,13,14,15,16,17,18,19,23,24,25,25a-hexadecahydro-19-hydroxy- 14,16-dimethoxy-4,8,10,12,18-pentamethyl-, (9E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 829.7±75.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 137.2±6.0 kJ/mol
Flash Point: 455.6±37.1 °C
Index of Refraction: 1.545
Molar Refractivity: 191.3±0.4 cm3
#H bond acceptors: 12
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 3.80
ACD/BCF (pH 5.5): 454.35
ACD/KOC (pH 5.5): 2778.15
ACD/LogD (pH 7.4): 3.80
ACD/BCF (pH 7.4): 452.78
ACD/KOC (pH 7.4): 2768.57
Polar Surface Area: 163 Å2
Polarizability: 75.8±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 605.3±5.0 cm3

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