Found 18 results

Search term: MF = 'C_{39}H_{60}O_{8}'
ChemSpider 2D Image | [(1S,1aR,1bS,4aR,7aS,7bR,8R)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-{[(2Z)-2-methyl-2-butenoyl]oxy}-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl]me thyl myristate | C39H60O8

[(1S,1aR,1bS,4aR,7aS,7bR,8R)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-{[(2Z)-2-methyl-2-butenoyl]oxy}-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl]me thyl myristate

  • Molecular FormulaC39H60O8
  • Average mass656.889 Da
  • Monoisotopic mass656.428833 Da
  • ChemSpider ID4947210

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 8 defined stereocentres

More details:

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

[(1S,1aR,1bS,4aR,7aS,7bR,8R)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-{[(2Z)-2-methyl-2-butenoyl]oxy}-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl]me thyl myristate [ACD/IUPAC Name]
[(1S,1aR,1bS,4aR,7aS,7bR,8R)-4a,7b-Dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-{[(2Z)-2-methyl-2-butenoyl]oxy}-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-1-yl]me thylmyristat [German] [ACD/IUPAC Name]
Myristate de [(1S,1aR,1bS,4aR,7aS,7bR,8R)-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,6,8-triméthyl-9a-{[(2Z)-2-méthyl-2-butenoyl]oxy}-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]a zulén-1-yl]méthyle [French] [ACD/IUPAC Name]
Tetradecanoic acid, [(1S,1aR,1bS,4aR,7aS,7bR,8R)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,6,8-trimethyl-9a-[[(2Z)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-1H-cyclopropa[3, 4]benz[1,2-e]azulen-1-yl]methyl ester [ACD/Index Name]
52084-32-9 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 735.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.5 mmHg at 25°C
Enthalpy of Vaporization: 122.5±6.0 kJ/mol
Flash Point: 215.8±26.4 °C
Index of Refraction: 1.555
Molar Refractivity: 181.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.21
ACD/LogD (pH 5.5): 9.26
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2592542.25
ACD/LogD (pH 7.4): 9.26
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2592243.50
Polar Surface Area: 130 Å2
Polarizability: 72.1±0.5 10-24cm3
Surface Tension: 50.6±5.0 dyne/cm
Molar Volume: 566.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement