ChemSpider 2D Image | (1Z,4S,5Z,7R,9Z,11aS,14aR,15S,16aS,16bR)-15-Ethyl-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11-dione | C34H40N2O5

(1Z,4S,5Z,7R,9Z,11aS,14aR,15S,16aS,16bR)-15-Ethyl-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-4,7,14,14a,15,15a,16a,16b-octahydro-3H-cyclotrideca[d]oxireno[f]isoindole-8,11-dione

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID58818135

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 8 of 10 defined stereocentres

More details:

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

(1Z,4S,5Z,7R,9Z,11aS,14aR,15S,16aS,16bR)-15-Ethyl-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-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,14aR,15S,16aS,16bR)-15-Ethyl-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-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,14aR,15S,16aS,16bR)-15-Éthyl-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)éthyl]-4,6,15a-triméthyl-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, 15-ethyl-4,7,14,14a,15,15a,16a,16b-octahydro-7,12-dihydroxy-14-[(1R)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-, (1Z,4S,5Z,7R,9Z,11aS,14aR,15S,16aS,16b R)- [ACD/Index Name]
72509-61-6 [RN]
CHAETOGLOBOSINK

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

Density: 1.3±0.1 g/cm3
Boiling Point: 770.5±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.7±3.0 kJ/mol
Flash Point: 419.8±35.7 °C
Index of Refraction: 1.661
Molar Refractivity: 155.0±0.5 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.82
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: 61.4±0.5 10-24cm3
Surface Tension: 49.4±7.0 dyne/cm
Molar Volume: 419.3±7.0 cm3

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