ChemSpider 2D Image | chaetoglobosin B | C32H36N2O5

chaetoglobosin B

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID10406713

  • 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

(3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindol-1,14,17-trion [German] [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotrideca[d]isoindole-1,14,17-trione [ACD/IUPAC Name]
(3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)-6,13-Dihydroxy-3-(1H-indol-3-ylméthyl)-4,5,10,12-tétraméthyl-2,3,3a,6,6a,9,10,13-octahydro-1H-cyclotridéca[d]isoindole-1,14,17-trione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,14,17-trione, 2,3,3a,6,6a,9,10,13-octahydro-6,13-dihydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,6S,6aR,7E,10S,11E,13R,15E,17aR)- [ACD/Index Name]
Chaetoglobin B
chaetoglobosin B
50335-04-1 [RN]
CHEATOGLOBOSIN B
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL487900/
  • Miscellaneous

    • Chemical Class:

      A natural product found in <ital>Chaetomium globosum</ital> and <ital>Chaetomium subaffine</ital>. ChEBI CHEBI:68734
      A natural product found in Chaetomium globosum and Chaetomium subaffine. ChEBI CHEBI:68734

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

Density: 1.3±0.1 g/cm3
Boiling Point: 822.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.1 mmHg at 25°C
Enthalpy of Vaporization: 125.3±3.0 kJ/mol
Flash Point: 451.1±34.3 °C
Index of Refraction: 1.654
Molar Refractivity: 149.1±0.4 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.53
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: 59.1±0.5 10-24cm3
Surface Tension: 62.6±5.0 dyne/cm
Molar Volume: 406.7±5.0 cm3

Click to predict properties on the Chemicalize site


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