ChemSpider 2D Image | penochalasin E | C32H38N2O5

penochalasin E

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID8567674
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres


More details:






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

(1E,4S,5E,7S,11aR,14S,14aR,15S,15aR,16aS,16bR)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,9,10,14,14a,15,15a,16a,16b-decahydro-3H-cyclotrideca[d]oxireno[f]isoindol-8,11,12(13H)-trio n [German] [ACD/IUPAC Name]
(1E,4S,5E,7S,11aR,14S,14aR,15S,15aR,16aS,16bR)-7-Hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-4,7,9,10,14,14a,15,15a,16a,16b-decahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11,12(13H)-tri one [ACD/IUPAC Name]
(1E,4S,5E,7S,11aR,14S,14aR,15S,15aR,16aS,16bR)-7-Hydroxy-14-(1H-indol-3-ylméthyl)-4,6,15,15a-tétraméthyl-4,7,9,10,14,14a,15,15a,16a,16b-décahydro-3H-cyclotridéca[d]oxiréno[f]isoindole-8,11,12(13H)-tri one [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 4,7,9,10,14,14a,15,15a,16a,16b-decahydro-7-hydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1E,4S,5E,7S,11aR,14S,14aR,15S,15aR,16aS, 16bR)- [ACD/Index Name]
penochalasin E

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

Density: 1.3±0.1 g/cm3
Boiling Point: 794.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 121.1±3.0 kJ/mol
Flash Point: 434.2±32.9 °C
Index of Refraction: 1.639
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.52
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: 60.0±5.0 dyne/cm
Molar Volume: 411.3±5.0 cm3

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