ChemSpider 2D Image | (3S,3aR,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)-13-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione | C32H38N2O3

(3S,3aR,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)-13-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione

  • Molecular FormulaC32H38N2O3
  • Average mass498.656 Da
  • Monoisotopic mass498.288239 Da
  • ChemSpider ID58131887

  • 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,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)-13-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindol-1,17(2H)-dion [German] [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)-13-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione [ACD/IUPAC Name]
(3S,3aR,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)-13-Hydroxy-3-(1H-indol-3-ylméthyl)-4,5,10,12-tétraméthyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotridéca[d]isoindole-1,17(2H)-dione [French] [ACD/IUPAC Name]
1H-Cyclotridec[d]isoindole-1,17(2H)-dione, 3,3a,4,6a,9,10,13,14-octahydro-13-hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-, (3S,3aR,4S,6aS,7Z,10S,11Z,13S,15Z,17aS)- [ACD/Index Name]
(3S,3aR,4S,6aS,7E,10S,11E,13S,15E,17aS)-13-Hydroxy-3-(1H-indol-3-ylmethyl)-4,5,10,12-tetramethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cyclotrideca[d]isoindole-1,17(2H)-dione [ACD/IUPAC Name]
chaetoglobosin T

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

Density: 1.2±0.1 g/cm3
Boiling Point: 756.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 115.7±3.0 kJ/mol
Flash Point: 411.6±32.9 °C
Index of Refraction: 1.634
Molar Refractivity: 147.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.46
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: 82 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 55.3±5.0 dyne/cm
Molar Volume: 412.9±5.0 cm3

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