ChemSpider 2D Image | (1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-15-Ethyl-7-hydroxy-14-[(1S)-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-8,11,1 2(13H)-trione | C34H40N2O5

(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-15-Ethyl-7-hydroxy-14-[(1S)-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-8,11,1 2(13H)-trione

  • Molecular FormulaC34H40N2O5
  • Average mass556.692 Da
  • Monoisotopic mass556.293701 Da
  • ChemSpider ID4944754

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

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

(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-15-Ethyl-7-hydroxy-14-[(1S)-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-8,11,12 (13H)-trion [German] [ACD/IUPAC Name]
(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-15-Ethyl-7-hydroxy-14-[(1S)-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-8,11,1 2(13H)-trione [ACD/IUPAC Name]
(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-15-Éthyl-7-hydroxy-14-[(1S)-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-8,11,1 2(13H)-trione [French] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 15-ethyl-4,7,14,14a,15,15a,16a,16b-octahydro-7-hydroxy-14-[(1S)-1-(1H-indol-3-yl)ethyl]-4,6,15a-trimethyl-, (1E,4S,5Z,7R,9E,11aR,14S,14aR,15S, 15aR,16aS,16bR)- [ACD/Index Name]
10,11-Dinor(13)cytochalasa-13,17,21-triene-1,20,23-trione, 6,7-epoxy-5-ethyl-19-hydroxy-3-(1-(1H-indol-3-yl)ethyl)-16,18-dimethyl-, (3S(R),5S,7S,13E,16S,17E,19R,21E)-
72509-61-6 [RN]
Chaetoglobosin K

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

BRN 4732373 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 791.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 120.7±3.0 kJ/mol
Flash Point: 432.3±32.9 °C
Index of Refraction: 1.637
Molar Refractivity: 157.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 4.38
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: 62.3±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 437.4±5.0 cm3

Click to predict properties on the Chemicalize site


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