ChemSpider 2D Image | (1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)-7,12-Dihydroxy-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-dione | C32H36N2O5

(1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)-7,12-Dihydroxy-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-dione

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID58817305

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 9 defined stereocentres

More details:

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

(1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)-7,12-Dihydroxy-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-dion [German] [ACD/IUPAC Name]
(1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)-7,12-Dihydroxy-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-dione [ACD/IUPAC Name]
(1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)-7,12-Dihydroxy-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-dione [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-8,11-dione, 4,7,14,14a,15,15a,16a,16b-octahydro-7,12-dihydroxy-14-(1H-indol-3-ylmethyl)-4,6,15,15a-tetramethyl-, (1Z,4S,5Z,7R,9Z,11aS,14S,14aR,15S,16aS)- [ACD/Index Name]
50335-03-0 [RN]
Chaetoglobosin

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

Density: 1.4±0.1 g/cm3
Boiling Point: 767.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 117.2±3.0 kJ/mol
Flash Point: 418.0±35.7 °C
Index of Refraction: 1.676
Molar Refractivity: 146.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.94
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: 115 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 52.0±7.0 dyne/cm
Molar Volume: 388.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement