ChemSpider 2D Image | Hyponine E | C45H48N2O19

Hyponine E

  • Molecular FormulaC45H48N2O19
  • Average mass920.865 Da
  • Monoisotopic mass920.285156 Da
  • ChemSpider ID24710294

  • defined stereocentres - 11 of 13 defined stereocentres

More details:

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

(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21-Triacetoxy-20-(acetoxymethyl)-24-(2-furoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.0 7,12]pentacosa-7,9,11-trien-22-yl nicotinate [ACD/IUPAC Name]
(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21-Triacetoxy-20-(acetoxymethyl)-24-(2-furoyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.0 7,12]pentacosa-7,9,11-trien-22-yl-nicotinat [German] [ACD/IUPAC Name]
Hyponine E
Nicotinate de (1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21-triacétoxy-20-(acétoxyméthyl)-24-(2-furoyloxy)-25-hydroxy-3,13,14,25-tétraméthyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01 ,20.03,23.07,12]pentacosa-7,9,11-trién-22-yle [French] [ACD/IUPAC Name]
[(1S,3R,17S,18R,19R,20R,21S,22R,23R,24R,25S)-18,19,21-triacetyloxy-20-(acetyloxymethyl)-24-(furan-2-carbonyloxy)-25-hydroxy-3,13,14,25-tetramethyl-6,15-dioxo-2,5,16-trioxa-11-azapentacyclo[15.7.1.01,20.03,23.07,12]pentacosa-7(12),8,10-trien-22-yl] pyridine-3-carboxylate
226975-99-1 [RN]
7-(nicotinoyloxy)-O(5)-furanoyl-O(5)-deacetyl-7-deoxo-evonine
hyponin E
  • Miscellaneous

    • Chemical Class:

      A sesquiterpene alkaloid that is isolated from <ital>Tripterygium hypoglaucum</ital>. ChEBI CHEBI:132389
      A sesquiterpene alkaloid that is isolated from Tripterygium hypoglaucum. ChEBI CHEBI:132389

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

Density: 1.5±0.1 g/cm3
Boiling Point: 913.2±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 139.1±3.0 kJ/mol
Flash Point: 506.1±34.3 °C
Index of Refraction: 1.603
Molar Refractivity: 217.6±0.4 cm3
#H bond acceptors: 21
#H bond donors: 1
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 3
ACD/LogP: 5.73
ACD/LogD (pH 5.5): 5.03
ACD/BCF (pH 5.5): 3939.18
ACD/KOC (pH 5.5): 13018.40
ACD/LogD (pH 7.4): 5.04
ACD/BCF (pH 7.4): 3958.70
ACD/KOC (pH 7.4): 13082.93
Polar Surface Area: 279 Å2
Polarizability: 86.3±0.5 10-24cm3
Surface Tension: 69.5±5.0 dyne/cm
Molar Volume: 633.1±5.0 cm3

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