ChemSpider 2D Image | (4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyl-12-oxooxacyclododec-4-en-6-yl acetate | C31H50O8

(4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyl-12-oxooxacyclododec-4-en-6-yl acetate

  • Molecular FormulaC31H50O8
  • Average mass550.724 Da
  • Monoisotopic mass550.350586 Da
  • ChemSpider ID9470797
  • Double-bond stereo - Double-bond stereo


More details:






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

(4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyl-12-oxooxacyclododec-4-en-6-yl acetate [ACD/IUPAC Name]
(4E)-7,10-Dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-heptadien-2-yl}-3,7,11-trimethyl-12-oxooxacyclododec-4-en-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (4E)-7,10-dihydroxy-2-{(2E,4E)-7-[3-(3-hydroxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-heptadién-2-yl}-3,7,11-triméthyl-12-oxooxacyclododéc-4-én-6-yle [French] [ACD/IUPAC Name]
Oxacyclododec-9-en-2-one, 8-(acetyloxy)-4,7-dihydroxy-12-[(1E,3E)-6-[3-(2-hydroxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-hexadien-1-yl]-3,7,11-trimethyl-, (9E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 677.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.7 mmHg at 25°C
Enthalpy of Vaporization: 113.8±6.0 kJ/mol
Flash Point: 208.7±25.0 °C
Index of Refraction: 1.531
Molar Refractivity: 150.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 3.83
ACD/LogD (pH 5.5): 4.36
ACD/BCF (pH 5.5): 1208.68
ACD/KOC (pH 5.5): 5596.52
ACD/LogD (pH 7.4): 4.36
ACD/BCF (pH 7.4): 1208.68
ACD/KOC (pH 7.4): 5596.51
Polar Surface Area: 126 Å2
Polarizability: 59.8±0.5 10-24cm3
Surface Tension: 46.1±5.0 dyne/cm
Molar Volume: 487.5±5.0 cm3

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