ChemSpider 2D Image | zeaenol | C19H24O7

zeaenol

  • Molecular FormulaC19H24O7
  • Average mass364.390 Da
  • Monoisotopic mass364.152191 Da
  • ChemSpider ID24672437

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3S,5E,7S,8S,9S,11E)-7,8,9,16-Tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1-on [German] [ACD/IUPAC Name]
(3S,5E,7S,8S,9S,11E)-7,8,9,16-Tetrahydroxy-14-methoxy-3-methyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotetradecin-1-one [ACD/IUPAC Name]
(3S,5E,7S,8S,9S,11E)-7,8,9,16-Tétrahydroxy-14-méthoxy-3-méthyl-3,4,7,8,9,10-hexahydro-1H-2-benzoxacyclotétradécin-1-one [French] [ACD/IUPAC Name]
1H-2-Benzoxacyclotetradecin-1-one, 3,4,7,8,9,10-hexahydro-7,8,9,16-tetrahydroxy-14-methoxy-3-methyl-, (3S,5E,7S,8S,9S,11E)- [ACD/Index Name]
zeaenol
(2E,5S,6S,7S,8E,11S)-5,6,7,15-tetrahydroxy-17-methoxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),2,8,15,17-pentaen-13-one
  • Miscellaneous

    • Chemical Class:

      A macrolide that is a 14-memebered macrocycle fused to a 3-methoxyphenol ring. Isolated from <ital>Fungi</ital> and <ital>Cochliobolus lunatus</ital>, it exhibits antibacterial and inhibitory activity against NF-<greek>kappa</greek>B. ChEBI CHEBI:67556
      A macrolide that is a 14-memebered macrocycle fused to a 3-methoxyphenol ring. Isolated from Fungi and Cochliobolus lunatus, it exhibits antibacterial and inhibitory activity against NF-kappaB. ChEBI CHEBI:67556

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

Density: 1.3±0.1 g/cm3
Boiling Point: 636.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 98.8±3.0 kJ/mol
Flash Point: 227.6±25.0 °C
Index of Refraction: 1.574
Molar Refractivity: 94.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 4
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.41
ACD/LogD (pH 5.5): 2.21
ACD/BCF (pH 5.5): 28.24
ACD/KOC (pH 5.5): 378.85
ACD/LogD (pH 7.4): 1.90
ACD/BCF (pH 7.4): 13.85
ACD/KOC (pH 7.4): 185.83
Polar Surface Area: 116 Å2
Polarizability: 37.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 285.7±3.0 cm3

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