ChemSpider 2D Image | (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-7b-Hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2E)-2-methyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate | C35H52O7

(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-7b-Hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2E)-2-methyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate

  • Molecular FormulaC35H52O7
  • Average mass584.783 Da
  • Monoisotopic mass584.371277 Da
  • ChemSpider ID30811946

  • Double-bond stereo - Double-bond stereo

    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)-7b-Hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2E)-2-methyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl decanoate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-7b-Hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-{[(2E)-2-methyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl- decanoat [German] [ACD/IUPAC Name]
Décanoate de (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-7b-hydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-9-{[(2E)-2-méthyl-2-butenoyl]oxy}-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-décahydro-9aH-cyclopropa[3,4]benzo[1,2-e] azulén-9a-yle [French] [ACD/IUPAC Name]
Decanoic acid, (1aR,1bS,4aR,7aR,7bR,8R,9R,9aS)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-9-[[(2E)-2-methyl-1-oxo-2-buten-1-yl]oxy]-5-oxo-9aH-cyclopropa[3,4]be nz[1,2-e]azulen-9a-yl ester [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 669.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.6 mmHg at 25°C
Enthalpy of Vaporization: 112.6±6.0 kJ/mol
Flash Point: 201.2±25.0 °C
Index of Refraction: 1.553
Molar Refractivity: 161.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.00
ACD/LogD (pH 5.5): 8.31
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 788535.06
ACD/LogD (pH 7.4): 8.31
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 788533.38
Polar Surface Area: 110 Å2
Polarizability: 64.1±0.5 10-24cm3
Surface Tension: 48.2±5.0 dyne/cm
Molar Volume: 505.8±5.0 cm3

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