ChemSpider 2D Image | (1E,4S,6S,7E,11aS,14S,14aS,15S,15aR,16aS,16bR)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione | C28H33NO7

(1E,4S,6S,7E,11aS,14S,14aS,15S,15aR,16aS,16bR)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione

  • Molecular FormulaC28H33NO7
  • Average mass495.564 Da
  • Monoisotopic mass495.225708 Da
  • ChemSpider ID26373919

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1E,4S,6S,7E,11aS,14S,14aS,15S,15aR,16aS,16bR)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindol-5,10,12(4H,6H)-trion [German] [ACD/IUPAC Name]
(1E,4S,6S,7E,11aS,14S,14aS,15S,15aR,16aS,16bR)-14-Benzyl-6-hydroxy-4,6,15,15a-tetramethyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione [ACD/IUPAC Name]
(1E,4S,6S,7E,11aS,14S,14aS,15S,15aR,16aS,16bR)-14-Benzyl-6-hydroxy-4,6,15,15a-tétraméthyl-3,13,14,14a,15,15a,16a,16b-octahydro[1,3]dioxacyclotridécino[4,5-d]oxiréno[f]isoindole-5,10,12(4H,6H)-trione [French] [ACD/IUPAC Name]
[1,3]Dioxacyclotridecino[4,5-d]oxireno[f]isoindole-5,10,12(4H,6H)-trione, 3,13,14,14a,15,15a,16a,16b-octahydro-6-hydroxy-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,6S,7E,11aS,14S,14aS,15S,15aR, 16aS,16bR)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.3±3.0 kJ/mol
Flash Point: 380.2±32.9 °C
Index of Refraction: 1.608
Molar Refractivity: 130.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.92
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 34.21
ACD/KOC (pH 5.5): 436.31
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 34.21
ACD/KOC (pH 7.4): 436.25
Polar Surface Area: 114 Å2
Polarizability: 51.9±0.5 10-24cm3
Surface Tension: 57.2±5.0 dyne/cm
Molar Volume: 378.5±5.0 cm3

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