ChemSpider 2D Image | Shortolide A | C25H36O5

Shortolide A

  • Molecular FormulaC25H36O5
  • Average mass416.550 Da
  • Monoisotopic mass416.256287 Da
  • ChemSpider ID34216765
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres


More details:






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

(1aR,3aS,4S,5S,6S,7aR,7bS)-4,5,7a,7b-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydronaphtho[1,2-b]oxiren-6-yl (2Z)-2-methyl-2-butenoate [ACD/IUPAC Name]
(1aR,3aS,4S,5S,6S,7aR,7bS)-4,5,7a,7b-Tetramethyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]decahydronaphtho[1,2-b]oxiren-6-yl-(2Z)-2-methyl-2-butenoat [German] [ACD/IUPAC Name]
(2Z)-2-Méthyl-2-buténoate de (1aR,3aS,4S,5S,6S,7aR,7bS)-4,5,7a,7b-tétraméthyl-4-[2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]décahydronaphto[1,2-b]oxirén-6-yle [French] [ACD/IUPAC Name]
2-Butenoic acid, 2-methyl-, (1aR,3aS,4S,5S,6S,7aR,7bS)-4-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]decahydro-4,5,7a,7b-tetramethylnaphth[1,2-b]oxiren-6-yl ester, (2Z)- [ACD/Index Name]
34331-31-2 [RN]
Shortolide A [Wiki]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 524.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±3.0 kJ/mol
Flash Point: 224.2±24.6 °C
Index of Refraction: 1.539
Molar Refractivity: 114.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1724.23
ACD/KOC (pH 5.5): 7216.94
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1724.23
ACD/KOC (pH 7.4): 7216.94
Polar Surface Area: 65 Å2
Polarizability: 45.3±0.5 10-24cm3
Surface Tension: 42.6±5.0 dyne/cm
Molar Volume: 365.3±5.0 cm3

Click to predict properties on the Chemicalize site





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