ChemSpider 2D Image | (1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-Benzyl-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl acetate | C32H37NO6

(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-Benzyl-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl acetate

  • Molecular FormulaC32H37NO6
  • Average mass531.639 Da
  • Monoisotopic mass531.262085 Da
  • ChemSpider ID4944900
  • 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,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-Benzyl-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl acetate [ACD/IUPAC Name]
(1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-Benzyl-4,6,15,15a-tetramethyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodecahydro-3H-cyclotrideca[d]oxireno[f]isoindol-7-yl-acetat [German] [ACD/IUPAC Name]
3H-Cyclotridec[d]oxireno[f]isoindole-8,11,12(13H)-trione, 7-(acetyloxy)-4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR) - [ACD/Index Name]
Acétate de (1E,4S,5Z,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-14-benzyl-4,6,15,15a-tétraméthyl-8,11,12-trioxo-4,7,8,11,12,13,14,14a,15,15a,16a,16b-dodécahydro-3H-cyclotridéca[d]oxiréno[f]isoindol-7-yle [French] [ACD/IUPAC Name]
3H-CYCLOTRIDEC(D)OXIRENO(F)ISOINDOLE-8,11,12(13H)-TRIONE,7-(ACETYLOXY) -4,7,14,14A,15,15A,16A,16B-OCTAHYDRO-4,6,15,15A-TETRAMETHYL-14-(PHENYL METHYL)-,(1E,4S,5E,7R,9E,11AR,14S,14AR,15S,15AR,16AS,16BR)-
3H-Cyclotridec(d)oxireno(f)isoindole-8,11,12(13H)-trione,7-(acetyloxy)-4,7,14,14a,15,15a,16a,16b-octahydro-4,6,15,15a-tetramethyl-14-(phenylmethyl)-, (1E,4S,5E,7R,9E,11aR,14S,14aR,15S,15aR,16aS,16bR)-
79648-72-9 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 703.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 379.5±32.9 °C
Index of Refraction: 1.595
Molar Refractivity: 145.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 4.51
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: 102 Å2
Polarizability: 57.9±0.5 10-24cm3
Surface Tension: 52.1±5.0 dyne/cm
Molar Volume: 429.7±5.0 cm3

Click to predict properties on the Chemicalize site






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