ChemSpider 2D Image | (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,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,4S,5E,7R,9E,11aR,14S,14aR,15S,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 ID4572750

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 9 defined stereocentres

More details:

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

(1E,4S,5E,7R,9E,11aR,14S,14aR,15S,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,4S,5E,7R,9E,11aR,14S,14aR,15S,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,4S,5E,7R,9E,11aR,14S,14aR,15S,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,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS)- [ACD/Index Name]
CID 5458867

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

NSC366739 [DBID]
  • Miscellaneous

    • Bio Activity:

      Antibiotic with antibacterial, antifungal and cytotoxic activity Hello Bio HB3828
      Antibiotic. Cytochalasin analog.Antifungal. Phytotoxic. Antibacterial. Cytotoxic against human cancer cell lines. Enhances fibrinolytic activity of bovine aortic endothelial cells. Hello Bio HB3828
      Antibiotics Hello Bio HB3828
      Cell signaling/Antibiotics/ Antivirals / antibacterials / immunomodulators Hello Bio HB3828

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

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

Click to predict properties on the Chemicalize site


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