ChemSpider 2D Image | (1aR,1bS,4aS,7aR,7bS,9R,9aS)-9-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2Z,4E,6E)-2,4,6-decatrieno ate | C32H42O7

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

  • Molecular FormulaC32H42O7
  • Average mass538.672 Da
  • Monoisotopic mass538.293030 Da
  • ChemSpider ID4884696

  • 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

(1aR,1bS,4aS,7aR,7bS,9R,9aS)-9-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl (2Z,4E,6E)-2,4,6-decatrieno ate [ACD/IUPAC Name]
(1aR,1bS,4aS,7aR,7bS,9R,9aS)-9-Acetoxy-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-9aH-cyclopropa[3,4]benzo[1,2-e]azulen-9a-yl-(2Z,4E,6E)-2,4,6-decatrieno at [German] [ACD/IUPAC Name]
(2Z,4E,6E)-2,4,6-Décatriénoate de (1aR,1bS,4aS,7aR,7bS,9R,9aS)-9-acétoxy-7b-hydroxy-3-(hydroxyméthyl)-1,1,6,8-tétraméthyl-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]
2,4,6-Decatrienoic acid, (1aR,1bS,4aS,7aR,7bS,9R,9aS)-9-(acetyloxy)-1,1a,1b,4,4a,5,7a,7b,8,9-decahydro-7b-hydroxy-3-(hydroxymethyl)-1,1,6,8-tetramethyl-5-oxo-9aH-cyclopropa[3,4]benz[1,2-e]azulen-9a-yl ester, (2Z,4E,6E)- [ACD/Index Name]
Euphorbia factor Ti2

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

Density: 1.2±0.1 g/cm3
Boiling Point: 654.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.5 mmHg at 25°C
Enthalpy of Vaporization: 110.3±6.0 kJ/mol
Flash Point: 204.3±25.0 °C
Index of Refraction: 1.580
Molar Refractivity: 147.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 5.22
ACD/LogD (pH 5.5): 5.38
ACD/BCF (pH 5.5): 7194.11
ACD/KOC (pH 5.5): 20063.88
ACD/LogD (pH 7.4): 5.38
ACD/BCF (pH 7.4): 7194.10
ACD/KOC (pH 7.4): 20063.86
Polar Surface Area: 110 Å2
Polarizability: 58.6±0.5 10-24cm3
Surface Tension: 51.6±5.0 dyne/cm
Molar Volume: 444.5±5.0 cm3

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