ChemSpider 2D Image | 19,20-epoxycytochalasin Q | C30H37NO7

19,20-epoxycytochalasin Q

  • Molecular FormulaC30H37NO7
  • Average mass523.617 Da
  • Monoisotopic mass523.257019 Da
  • ChemSpider ID23327034

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 12 of 12 defined stereocentres

More details:

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

(1E,4S,6R,6aR,7aS,8aR,11S,11aR,12S,12aR,13aS,13bR)-11-Benzyl-6-hydroxy-4,6,12,12a-tetramethyl-5,9-dioxo-4,5,6,6a,7a,8,9,10,11,11a,12,12a,13a,13b-tetradecahydro-3H-oxireno[9,10]cycloundeca[1,2-d]oxiren o[f]isoindol-8-yl acetate [ACD/IUPAC Name]
(1E,4S,6R,6aR,7aS,8aR,11S,11aR,12S,12aR,13aS,13bR)-11-Benzyl-6-hydroxy-4,6,12,12a-tetramethyl-5,9-dioxo-4,5,6,6a,7a,8,9,10,11,11a,12,12a,13a,13b-tetradecahydro-3H-oxireno[9,10]cycloundeca[1,2-d]oxiren o[f]isoindol-8-yl-acetat [German] [ACD/IUPAC Name]
19,20-epoxycytochalasin Q
3H-Oxireno[9,10]cycloundec[1,2-d]oxireno[f]isoindole-5,9(4H,10H)-dione, 8-(acetyloxy)-6,6a,7a,8,11,11a,12,12a,13a,13b-decahydro-6-hydroxy-4,6,12,12a-tetramethyl-11-(phenylmethyl)-, (1E,4S,6R,6aR,7aS,8 aR,11S,11aR,12S,12aR,13aS,13bR)- [ACD/Index Name]
Acétate de (1E,4S,6R,6aR,7aS,8aR,11S,11aR,12S,12aR,13aS,13bR)-11-benzyl-6-hydroxy-4,6,12,12a-tétraméthyl-5,9-dioxo-4,5,6,6a,7a,8,9,10,11,11a,12,12a,13a,13b-tétradécahydro-3H-oxiréno[9,10]cycloundéca[1 ,2-d]oxiréno[f]isoindol-8-yle [French] [ACD/IUPAC Name]
(1E,4S,6R,6aR,7aS,8S,8aR,11S,11aR,12S,12aR,13aS,13bR)-11-benzyl-6-hydroxy-4,6,12,12a-tetramethyl-5,9-dioxo-4,5,6,6a,7a,8,9,10,11,11a,12,12a,13a,13b-tetradecahydro-3H-oxireno[9,10]cycloundeca[1,2-d]oxireno[f]isoindol-8-yl acetate
3H-oxireno[9,10]cycloundec[1,2-d]oxireno[f]isoindole-5,9(4H,10H)-dione, 8-(acetyloxy)-6,6a,7a,8,11,11a,12,12a,13a,13b-decahydro-6-hydroxy-4,6,12,12a-tetramethyl-11-(phenylmethyl)-, (1E,4S,6R,6aR,7aS,8S,8aR,11S,11aR,12S,12aR,13aS,13bR)-
CHEMBL449278
  • Miscellaneous

    • Compound Source:

      Isolated from a microorganism Susan Richardson [Structure found in DOI:10.1590/S0100-40422010001000006]
      Xylaria sp. (Xylariaceae) Susan Richardson [Structure found in DOI:10.1590/S0100-40422010001000006]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 705.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 108.4±3.0 kJ/mol
Flash Point: 380.5±32.9 °C
Index of Refraction: 1.607
Molar Refractivity: 138.2±0.4 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.28
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.54
ACD/KOC (pH 5.5): 1068.27
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.53
ACD/KOC (pH 7.4): 1068.25
Polar Surface Area: 118 Å2
Polarizability: 54.8±0.5 10-24cm3
Surface Tension: 56.5±5.0 dyne/cm
Molar Volume: 400.3±5.0 cm3

Click to predict properties on the Chemicalize site


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