ChemSpider 2D Image | 19,20-Epoxycytochalasin D | C30H37NO7

19,20-Epoxycytochalasin D

  • Molecular FormulaC30H37NO7
  • Average mass523.617 Da
  • Monoisotopic mass523.257019 Da
  • ChemSpider ID32055481

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 11 of 11 defined stereocentres

More details:

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

(1aR,2R,4S,6E,7aR,8S,10S,10aR,11S,13aR,14aS)-11-Benzyl-2,8-dihydroxy-2,4,10-trimethyl-9-methylen-3,13-dioxo-2,3,4,5,7a,8,9,10,10a,11,12,13,14,14a-tetradecahydro-1aH-oxireno[9,10]cycloundeca[1,2-d]isoi ndol-14-yl-acetat [German] [ACD/IUPAC Name]
(1aR,2R,4S,6E,7aR,8S,10S,10aR,11S,13aR,14aS)-11-Benzyl-2,8-dihydroxy-2,4,10-trimethyl-9-methylene-3,13-dioxo-2,3,4,5,7a,8,9,10,10a,11,12,13,14,14a-tetradecahydro-1aH-oxireno[9,10]cycloundeca[1,2-d]iso indol-14-yl acetate [ACD/IUPAC Name]
19,20-Epoxycytochalasin D
191349-10-7 [RN]
3H-Oxireno[9,10]cycloundec[1,2-d]isoindole-3,13(4H)-dione, 14-(acetyloxy)-1a,2,5,7a,8,9,10,10a,11,12,14,14a-dodecahydro-2,8-dihydroxy-2,4,10-trimethyl-9-methylene-11-(phenylmethyl)-, (1aR,2R,4S,6E,7aR ,8S,10S,10aR,11S,13aR,14aS)- [ACD/Index Name]
Acétate de (1aR,2R,4S,6E,7aR,8S,10S,10aR,11S,13aR,14aS)-11-benzyl-2,8-dihydroxy-2,4,10-triméthyl-9-méthylène-3,13-dioxo-2,3,4,5,7a,8,9,10,10a,11,12,13,14,14a-tétradécahydro-1aH-oxiréno[9,10]cycloundéc a[1,2-d]isoindol-14-yle [French] [ACD/IUPAC Name]
  • 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: 735.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 112.6±3.0 kJ/mol
Flash Point: 398.4±32.9 °C
Index of Refraction: 1.605
Molar Refractivity: 139.5±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.79
ACD/KOC (pH 5.5): 1037.77
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.79
ACD/KOC (pH 7.4): 1037.74
Polar Surface Area: 125 Å2
Polarizability: 55.3±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 405.1±5.0 cm3

Click to predict properties on the Chemicalize site


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