ChemSpider 2D Image | (1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione | C32H36N2O5

(1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID4932336
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 9 defined stereocentres


More details:






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

(1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindol-8,11,12(13H)-trion [German] [ACD/IUPAC Name]
(1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-trione [ACD/IUPAC Name]
(1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)-7-Hydroxy-14-(1H-indol-3-ylméthyl)-4,6,15,15a-tétraméthyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotridéca[d]oxiréno[f]isoindole-8,11,12(13H)-trione [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1E,5E,7R,9E,11aR,14S,14aR,15aR,16aS)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 789.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.5±3.0 kJ/mol
Flash Point: 431.4±32.9 °C
Index of Refraction: 1.651
Molar Refractivity: 147.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.50
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 112 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 404.6±5.0 cm3

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