ChemSpider 2D Image | {5-[(2,3-Dimethylbutanoyl)oxy]-13-(dodecanoyloxy)-6,7-dihydroxy-3,12,12,15-tetramethyl-16-oxo-4-oxapentacyclo[8.5.1.0~1,6~.0~3,5~.0~11,13~]hexadec-8-en-8-yl}methyl palmitate | C54H90O10

{5-[(2,3-Dimethylbutanoyl)oxy]-13-(dodecanoyloxy)-6,7-dihydroxy-3,12,12,15-tetramethyl-16-oxo-4-oxapentacyclo[8.5.1.01,6.03,5.011,13]hexadec-8-en-8-yl}methyl palmitate

  • Molecular FormulaC54H90O10
  • Average mass899.286 Da
  • Monoisotopic mass898.653381 Da
  • ChemSpider ID140673

More details:

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

{5-[(2,3-Dimethylbutanoyl)oxy]-13-(dodecanoyloxy)-6,7-dihydroxy-3,12,12,15-tetramethyl-16-oxo-4-oxapentacyclo[8.5.1.01,6.03,5.011,13]hexadec-8-en-8-yl}methyl palmitate [ACD/IUPAC Name]
{5-[(2,3-Dimethylbutanoyl)oxy]-13-(dodecanoyloxy)-6,7-dihydroxy-3,12,12,15-tetramethyl-16-oxo-4-oxapentacyclo[8.5.1.01,6.03,5.011,13]hexadec-8-en-8-yl}methylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, [5b-(2,3-dimethyl-1-oxobutoxy)-1a,2,5,5a,5b,6a,7,8,9,9a-decahydro-5,5a-dihydroxy-1,1,6a,8-tetramethyl-10-oxo-9a-[(1-oxododecyl)oxy]-1H-2,7a-methanocyclopropa[5',6']cyclodeca[1',2':3 ,4]cyclopent[1,2-b]oxiren-4-yl]methyl ester [ACD/Index Name]
Palmitate de {5-[(2,3-diméthylbutanoyl)oxy]-13-(dodecanoyloxy)-6,7-dihydroxy-3,12,12,15-tétraméthyl-16-oxo-4-oxapentacyclo[8.5.1.01,6.03,5.011,13]hexadéc-8-én-8-yl}méthyle [French] [ACD/IUPAC Name]
135928-39-1 [RN]
6,7-Epoxy-13-hydroxyingenol-3-(2,3-dimethylbutanoate)-13-dodecanoate-20-hexadecanoate
Kansuiphorin B

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

Density: 1.1±0.1 g/cm3
Boiling Point: 836.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 138.3±6.0 kJ/mol
Flash Point: 220.5±27.8 °C
Index of Refraction: 1.531
Molar Refractivity: 252.0±0.4 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 33
#Rule of 5 Violations: 3
ACD/LogP: 17.01
ACD/LogD (pH 5.5): 16.14
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 16.14
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 149 Å2
Polarizability: 99.9±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 814.2±5.0 cm3

Click to predict properties on the Chemicalize site


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