ChemSpider 2D Image | Chaetoglobosin E | C32H38N2O5

Chaetoglobosin E

  • Molecular FormulaC32H38N2O5
  • Average mass530.654 Da
  • Monoisotopic mass530.278076 Da
  • ChemSpider ID10406725

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(1E,4S,5E,8S,11aR,14S,14aR,17S,17aR)-3,3a,6,6a,9,10,15,16-Octahydro-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-1H-cyclotridec[d]isoindole-1,13,17(2H,14H)-trione
(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindol-1,13,17(2H,14H)-trion [German] [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotrideca[d]isoindole-1,13,17(2H,14H)-trione [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)-6,14-Dihydroxy-3-(1H-indol-3-ylméthyl)-4,5,10,12-tétraméthyl-3,3a,6,6a,9,10,15,16-octahydro-1H-cyclotridéca[d]isoindole-1,13,17(2H,14H)-trione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,13,17(2H,14H)-trione, 3,3a,6,6a,9,10,15,16-octahydro-6,14-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,6S,6aR,7E,10S,11E,14S,17aR)- [ACD/Index Name]
55945-74-9 [RN]
Chaetoglobosin E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL505481/
  • Miscellaneous

    • Chemical Class:

      A cytochalasan alkaloid found in <ital>Chaetomium globosum</ital> and <ital>Chaetomium subaffine</ital>. ChEBI CHEBI:68731
      A cytochalasan alkaloid found in Chaetomium globosum and Chaetomium subaffine. ChEBI CHEBI:68731

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

Density: 1.3±0.1 g/cm3
Boiling Point: 831.9±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 126.7±3.0 kJ/mol
Flash Point: 456.9±34.3 °C
Index of Refraction: 1.642
Molar Refractivity: 149.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.36
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: 119 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 61.3±5.0 dyne/cm
Molar Volume: 413.4±5.0 cm3

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