ChemSpider 2D Image | chaetoglobosin U | C32H36N2O5

chaetoglobosin U

  • Molecular FormulaC32H36N2O5
  • Average mass528.639 Da
  • Monoisotopic mass528.262451 Da
  • ChemSpider ID9744792

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 10 of 10 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(3aR,4S,6E,7aR,7bS,8aR,9S,9aR,10S,12aR,14aR)-3a,4,5,7a,7b,8a,9,9a,10,11,14,14a-Dodecahydro-2-hydroxy-10-(1H-indol-3-ylmethyl)-3,4,8a,9-tetramethyl-1H-cyclopenta[7,8]cyclodec[1,2-d]oxireno[f]isoindole-1,12,13-trione
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-Hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoind ol-3,5,6-trion [German] [ACD/IUPAC Name]
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-Hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoind ole-3,5,6-trione [ACD/IUPAC Name]
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-Hydroxy-8-(1H-indol-3-ylméthyl)-1,9,9a,14-tétraméthyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodécahydro-3H-cyclopenta[7,8]cyclodéca[1,2-d]oxiréno[f]isoind ole-3,5,6-trione [French] [ACD/IUPAC Name]
3H-Cyclopenta[7,8]cyclodec[1,2-d]oxireno[f]isoindole-3,5,6-trione, 3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-, (3aR,5aR,8S,8aR,9S,9aR,10aS, 10bR,11E,14S,14aR)- [ACD/Index Name]
882516-41-8 [RN]
chaetoglobosin U
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoind
(3aR,5aR,8S,8aR,9S,9aR,10aS,10bR,11E,14S,14aR)-2-hydroxy-8-(1H-indol-3-ylmethyl)-1,9,9a,14-tetramethyl-3a,4,7,8,8a,9,9a,10a,10b,13,14,14a-dodecahydro-3H-cyclopenta[7,8]cyclodeca[1,2-d]oxireno[f]isoindole-3,5,6-trione
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL448756/
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  • Miscellaneous

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

Density: 1.3±0.1 g/cm3
Boiling Point: 805.4±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.8±3.0 kJ/mol
Flash Point: 440.9±34.3 °C
Index of Refraction: 1.663
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 3.86
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: 57.7±0.5 10-24cm3
Surface Tension: 63.5±5.0 dyne/cm
Molar Volume: 393.0±5.0 cm3

Click to predict properties on the Chemicalize site


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