Found 2 results

Search term: IKMDEXGOQXZLGE (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-Triacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl o ctanoate | C34H50O14

(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-Triacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl o ctanoate

  • Molecular FormulaC34H50O14
  • Average mass682.752 Da
  • Monoisotopic mass682.320068 Da
  • ChemSpider ID9506339

  • 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

(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-Triacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl o ctanoate [ACD/IUPAC Name]
(1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-Triacetoxy-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydrobenzo[4,5]cyclodeca[1,2-b]furan-6-yl-o ctanoat [German] [ACD/IUPAC Name]
Octanoate de (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-triacétoxy-1,11,12,13a-tétrahydroxy-1,5,8a,12-tétraméthyl-2-oxo-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodécahydrobenzo[4,5]cyclodéca[1,2-b ]furan-6-yle [French] [ACD/IUPAC Name]
Octanoic acid, (1S,3aS,4Z,6S,7R,8R,8aS,11R,12S,12aS,13R,13aS)-7,8,13-tris(acetyloxy)-1,2,3a,6,7,8,8a,11,12,12a,13,13a-dodecahydro-1,11,12,13a-tetrahydroxy-1,5,8a,12-tetramethyl-2-oxobenzo[4,5]cyclodec a[1,2-b]furan-6-yl ester [ACD/Index Name]
violide T

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

Density: 1.3±0.1 g/cm3
Boiling Point: 700.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.3±6.0 kJ/mol
Flash Point: 207.5±26.4 °C
Index of Refraction: 1.558
Molar Refractivity: 168.3±0.4 cm3
#H bond acceptors: 14
#H bond donors: 4
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.71
ACD/LogD (pH 5.5): 3.87
ACD/BCF (pH 5.5): 516.40
ACD/KOC (pH 5.5): 3044.81
ACD/LogD (pH 7.4): 3.87
ACD/BCF (pH 7.4): 516.14
ACD/KOC (pH 7.4): 3043.24
Polar Surface Area: 212 Å2
Polarizability: 66.7±0.5 10-24cm3
Surface Tension: 58.1±5.0 dyne/cm
Molar Volume: 522.1±5.0 cm3

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