ChemSpider 2D Image | juncin O | C33H43ClO14

juncin O

  • Molecular FormulaC33H43ClO14
  • Average mass699.139 Da
  • Monoisotopic mass698.234131 Da
  • ChemSpider ID10216940

  • 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

(1R,3aR,4S,6E,8S,8aS,9R,10R,11R,12R,12aS,13S,13aR)-8,9,11,13-Tetraacetoxy-4-chloro-13a-hydroxy-1,8a-dimethyl-5-methylene-2-oxo-1,3a,4,5,8,8a,9,10,11,12a,13,13a-dodecahydro-2H-spiro[benzo[4,5]cyclodeca [1,2-b]furan-12,2'-oxiran]-10-yl 3-methylbutanoate [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1R,3aR,4S,6E,8S,8aS,9R,10R,11R,12R,12aS,13S,13aR)-8,9,11,13-tetrakis(acetyloxy)-4-chloro-1,3a,4,5,8,8a,9,10,11,12a,13,13a-dodecahydro-13a-hydroxy-1,8a-dimethyl-5-methylene-2 -oxospiro[benzo[4,5]cyclodeca[1,2-b]furan-12(2H),2'-oxiran]-10-yl ester [ACD/Index Name]
juncin O
Juncin O, (rel)-

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

Density: 1.3±0.1 g/cm3
Boiling Point: 701.0±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: 377.7±32.9 °C
Index of Refraction: 1.550
Molar Refractivity: 165.2±0.4 cm3
#H bond acceptors: 14
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 3.07
ACD/LogD (pH 5.5): 2.93
ACD/BCF (pH 5.5): 99.77
ACD/KOC (pH 5.5): 938.65
ACD/LogD (pH 7.4): 2.93
ACD/BCF (pH 7.4): 99.75
ACD/KOC (pH 7.4): 938.43
Polar Surface Area: 191 Å2
Polarizability: 65.5±0.5 10-24cm3
Surface Tension: 53.8±5.0 dyne/cm
Molar Volume: 518.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement