ChemSpider 2D Image | gracilin L | C23H34O6

gracilin L

  • Molecular FormulaC23H34O6
  • Average mass406.513 Da
  • Monoisotopic mass406.235535 Da
  • ChemSpider ID24654576

  • 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

(1S,3R,3aR,4Z,7S,7aS)-4-Ethyliden-7-hydroxy-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-diyl-diacetat [German] [ACD/IUPAC Name]
(1S,3R,3aR,4Z,7S,7aS)-4-Ethylidene-7-hydroxy-5-[(1S)-1,3,3-trimethylcyclohexyl]-1,3,3a,4,7,7a-hexahydro-2-benzofuran-1,3-diyl diacetate [ACD/IUPAC Name]
1,3,4-Isobenzofurantriol, 7-ethylidene-1,3,3a,4,7,7a-hexahydro-6-[(1S)-1,3,3-trimethylcyclohexyl]-, 1,3-diacetate, (1R,3S,3aS,4S,7Z,7aR)- [ACD/Index Name]
Diacétate de (1S,3R,3aR,4Z,7S,7aS)-4-éthylidène-7-hydroxy-5-[(1S)-1,3,3-triméthylcyclohexyl]-1,3,3a,4,7,7a-hexahydro-2-benzofurane-1,3-diyle [French] [ACD/IUPAC Name]
gracilin L

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

Density: 1.2±0.1 g/cm3
Boiling Point: 495.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 87.8±6.0 kJ/mol
Flash Point: 160.6±22.2 °C
Index of Refraction: 1.535
Molar Refractivity: 108.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.01
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2492.68
ACD/KOC (pH 5.5): 9395.70
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2492.67
ACD/KOC (pH 7.4): 9395.69
Polar Surface Area: 82 Å2
Polarizability: 43.1±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 349.3±5.0 cm3

Click to predict properties on the Chemicalize site


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