ChemSpider 2D Image | (3S,3aR,6aS,7Z,12S,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cycloundeca[d]isoindole-1,11,15(2H,12H)-trione | C24H35NO4

(3S,3aR,6aS,7Z,12S,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cycloundeca[d]isoindole-1,11,15(2H,12H)-trione

  • Molecular FormulaC24H35NO4
  • Average mass401.539 Da
  • Monoisotopic mass401.256622 Da
  • ChemSpider ID78438233

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(3S,3aR,6aS,7Z,12S,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cycloundeca[d]isoindol-1,11,15(2H,12H)-trion [German] [ACD/IUPAC Name]
(3S,3aR,6aS,7Z,12S,15aS)-12-Hydroxy-3-isobutyl-4,5,8-trimethyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cycloundeca[d]isoindole-1,11,15(2H,12H)-trione [ACD/IUPAC Name]
(3S,3aR,6aS,7Z,12S,15aS)-12-Hydroxy-3-isobutyl-4,5,8-triméthyl-3,3a,4,6a,9,10,13,14-octahydro-1H-cycloundéca[d]isoindole-1,11,15(2H,12H)-trione [French] [ACD/IUPAC Name]
1H-Cycloundec[d]isoindole-1,11,15(2H,12H)-trione, 3,3a,4,6a,9,10,13,14-octahydro-12-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,6aS,7Z,12S,15aS)- [ACD/Index Name]
(3S,3aR,4S,6aS,7E,12S,15aS)-3,3a,4,6a,9,10,13,14-octahydro-12-hydroxy-4,5,8-trimethyl-3-(2-methylpropyl)-1H-cycloundec[d]isoindole-1,11,15(2H,12H)-trione
1173040-34-0 [RN]
aspochalasin M

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

Density: 1.1±0.1 g/cm3
Boiling Point: 617.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.0 mmHg at 25°C
Enthalpy of Vaporization: 104.9±6.0 kJ/mol
Flash Point: 327.0±31.5 °C
Index of Refraction: 1.548
Molar Refractivity: 111.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.81
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.27
ACD/KOC (pH 5.5): 838.81
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.27
ACD/KOC (pH 7.4): 838.81
Polar Surface Area: 83 Å2
Polarizability: 44.3±0.5 10-24cm3
Surface Tension: 45.8±5.0 dyne/cm
Molar Volume: 352.0±5.0 cm3

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