ChemSpider 2D Image | (2Z,4E)-9,10-Dihydroxy-2-{(2E,4E)-7-hydroxy-8-[3-(3-methoxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-octadien-2-yl}-3,9-dimethyl-12-oxooxacyclododeca-2,4-dien-6-yl acetate | C32H50O9

(2Z,4E)-9,10-Dihydroxy-2-{(2E,4E)-7-hydroxy-8-[3-(3-methoxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-octadien-2-yl}-3,9-dimethyl-12-oxooxacyclododeca-2,4-dien-6-yl acetate

  • Molecular FormulaC32H50O9
  • Average mass578.734 Da
  • Monoisotopic mass578.345459 Da
  • ChemSpider ID9853399

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z,4E)-9,10-Dihydroxy-2-{(2E,4E)-7-hydroxy-8-[3-(3-methoxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-octadien-2-yl}-3,9-dimethyl-12-oxooxacyclododeca-2,4-dien-6-yl acetate [ACD/IUPAC Name]
(2Z,4E)-9,10-Dihydroxy-2-{(2E,4E)-7-hydroxy-8-[3-(3-methoxy-2-pentanyl)-2-oxiranyl]-6-methyl-2,4-octadien-2-yl}-3,9-dimethyl-12-oxooxacyclododeca-2,4-dien-6-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (2Z,4E)-9,10-dihydroxy-2-{(2E,4E)-7-hydroxy-8-[3-(3-méthoxy-2-pentanyl)-2-oxiranyl]-6-méthyl-2,4-octadién-2-yl}-3,9-diméthyl-12-oxooxacyclododéca-2,4-dién-6-yle [French] [ACD/IUPAC Name]
Oxacyclododeca-9,11-dien-2-one, 8-(acetyloxy)-4,5-dihydroxy-12-[(1E,3E)-6-hydroxy-7-[3-(2-methoxy-1-methylbutyl)oxiranyl]-1,5-dimethyl-1,3-heptadien-1-yl]-5,11-dimethyl-, (9E,11Z)- [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: 699.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.0 mmHg at 25°C
Enthalpy of Vaporization: 117.1±6.0 kJ/mol
Flash Point: 214.2±25.0 °C
Index of Refraction: 1.538
Molar Refractivity: 156.7±0.4 cm3
#H bond acceptors: 9
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 4.76
ACD/LogD (pH 5.5): 4.19
ACD/BCF (pH 5.5): 902.52
ACD/KOC (pH 5.5): 4540.65
ACD/LogD (pH 7.4): 4.19
ACD/BCF (pH 7.4): 902.52
ACD/KOC (pH 7.4): 4540.64
Polar Surface Area: 135 Å2
Polarizability: 62.1±0.5 10-24cm3
Surface Tension: 47.3±5.0 dyne/cm
Molar Volume: 501.3±5.0 cm3

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