ChemSpider 2D Image | trigowiin A | C34H50O9

trigowiin A

  • Molecular FormulaC34H50O9
  • Average mass602.755 Da
  • Monoisotopic mass602.345459 Da
  • ChemSpider ID28536067
  • defined stereocentres - 8 of 8 defined stereocentres


More details:



Featured data source



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

(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-2,5-dioxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yl laurate [ACD/IUPAC Name]
(1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-Acetoxy-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-2,5-dioxo-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulen-9-yllaurat [German] [ACD/IUPAC Name]
Dodecanoic acid, (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-(acetyloxy)-1a,1b,2,4a,5,7a,7b,8,9,9a-decahydro-4a,7b-dihydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-2,5-dioxo-1H-cyclopropa[3,4]benz[1,2-e]azulen- 9-yl ester [ACD/Index Name]
Laurate de (1aR,1bS,4aR,7aS,7bS,8R,9R,9aS)-9a-acétoxy-4a,7b-dihydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-2,5-dioxo-1a,1b,2,4a,5,7a,7b,8,9,9a-décahydro-1H-cyclopropa[3,4]benzo[1,2-e]azulén-9-yle [French] [ACD/IUPAC Name]
trigowiin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 717.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.2 mmHg at 25°C
Enthalpy of Vaporization: 119.7±6.0 kJ/mol
Flash Point: 219.5±26.4 °C
Index of Refraction: 1.563
Molar Refractivity: 159.2±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 15
#Rule of 5 Violations: 2
ACD/LogP: 6.46
ACD/LogD (pH 5.5): 6.67
ACD/BCF (pH 5.5): 69207.96
ACD/KOC (pH 5.5): 101428.56
ACD/LogD (pH 7.4): 6.67
ACD/BCF (pH 7.4): 69037.20
ACD/KOC (pH 7.4): 101178.30
Polar Surface Area: 147 Å2
Polarizability: 63.1±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 490.3±5.0 cm3

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