Found 11 results

Search term: MF = 'C_{38}H_{60}O_{7}'
ChemSpider 2D Image | (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl palmitate | C38H60O7

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl palmitate

  • Molecular FormulaC38H60O7
  • Average mass628.879 Da
  • Monoisotopic mass628.433899 Da
  • ChemSpider ID129188365

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl palmitate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-ylpalmitat [German] [ACD/IUPAC Name]
Hexadecanoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,4,4a,5,7a,7b,8,9,9a-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1H-cyclopropa[3,4]benz[1,2-e]azulen-9-yl es ter [ACD/Index Name]
Palmitate de (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-9a-acétoxy-7b-hydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-5-oxo-1a,1b,4,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL4468525/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 691.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.9 mmHg at 25°C
Enthalpy of Vaporization: 115.8±6.0 kJ/mol
Flash Point: 201.8±25.0 °C
Index of Refraction: 1.540
Molar Refractivity: 176.0±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.31
ACD/LogD (pH 5.5): 9.48
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3431204.75
ACD/LogD (pH 7.4): 9.48
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3431201.00
Polar Surface Area: 110 Å2
Polarizability: 69.8±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 560.7±5.0 cm3

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