ChemSpider 2D Image | (6Z,7E,9S,10R,11S)-6-Ethylidene-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.0~12,16~]heptadeca-1(16),7,12,14-tetraene-3,5-dio ne | C26H33NO7

(6Z,7E,9S,10R,11S)-6-Ethylidene-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(16),7,12,14-tetraene-3,5-dio ne

  • Molecular FormulaC26H33NO7
  • Average mass471.543 Da
  • Monoisotopic mass471.225708 Da
  • ChemSpider ID28532927

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(6Z,7E,9S,10R,11S)-6-Ethyliden-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(16),7,12,14-tetraen-3,5-dion [German] [ACD/IUPAC Name]
(6Z,7E,9S,10R,11S)-6-Ethylidene-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-4,8,10-trimethyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadeca-1(16),7,12,14-tetraene-3,5-dio ne [ACD/IUPAC Name]
(6Z,7E,9S,10R,11S)-6-Éthylidène-14-hydroxy-11-{[(2R,5R,6R)-5-hydroxy-6-méthyltétrahydro-2H-pyran-2-yl]oxy}-4,8,10-triméthyl-17-oxa-2-azatricyclo[7.6.2.012,16]heptadéca-1(16),7,12,14-tétraène-3,5-dio ne [French] [ACD/IUPAC Name]
2,13-Ethano-1,9-benzoxaazacycloundecine-6,8(7H,9H)-dione, 5-ethylidene-2,5-dihydro-11-hydroxy-3,7,15-trimethyl-14-[[(2R,5R,6R)-tetrahydro-5-hydroxy-6-methyl-2H-pyran-2-yl]oxy]-, (2S,3E,5Z,14S,15R)- [ACD/Index Name]
(2S,3E,5Z,14S,15R)-5-ethylidene-11-hydroxy-14-{[(2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-3,7,15-trimethyl-2,5-dihydro-2,13-ethano-1,9-benzoxazacycloundecine-6,8(7H,9H)-dione
ansaetherone
  • Miscellaneous

    • Chemical Class:

      An eleven-membered macrocyclic lactam that consists of (2<stereo>S</stereo>,3<stereo>E</stereo>,5<stereo>Z</stereo>,14<stereo>S</stereo>,15<stereo>R</stereo>)-5-ethylidene-11,14-dihydroxy-3,7,15-trime thyl-2,5-dihydro-2,13-ethano-1,9-benzoxazacycloundecine-6,8-dione in which the 14-hydroxy group is substituted by a (2<stereo>R</stereo>,5<stereo>R</stereo>,6<stereo>R</stereo>)-5-hydroxy-6-methyltetr ahydro-2<element>H</element>-pyran-2-yl moiety. It is a radical scavenger isolated from <ital>Streptomyces</ital>. ChEBI CHEBI:65412
      An eleven-membered macrocyclic lactam that consists of (2S,3E,5Z,14S,15R)-5-ethylidene-11,14-dihydroxy-3,7,15-trimethyl-2,5-dihydro-2,13-ethano-1,9-benzoxazacycloundecine-6,8-dione in which the 14-hyd roxy group is substituted by a (2R,5R,6R)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl moiety. It is a radical scavenger isolated from Streptomyces. ChEBI CHEBI:65412

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.6±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 105.9±3.0 kJ/mol
Flash Point: 369.6±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 124.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.69
ACD/KOC (pH 5.5): 718.57
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.42
ACD/KOC (pH 7.4): 715.72
Polar Surface Area: 114 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 57.0±5.0 dyne/cm
Molar Volume: 363.3±5.0 cm3

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