ChemSpider 2D Image | Aurachin A | C25H33NO3

Aurachin A

  • Molecular FormulaC25H33NO3
  • Average mass395.534 Da
  • Monoisotopic mass395.246033 Da
  • ChemSpider ID58164126

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(2S,5E)-6,10-Dimethyl-2-[(2R)-4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]chinolin-2-yl]-5,9-undecadien-2-ol [German] [ACD/IUPAC Name]
(2S,5E)-6,10-Dimethyl-2-[(2R)-4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-2-yl]-5,9-undecadien-2-ol [ACD/IUPAC Name]
(2S,5E)-6,10-Diméthyl-2-[(2R)-4-méthyl-5-oxydo-1,2-dihydrofuro[2,3-c]quinoléin-2-yl]-5,9-undécadién-2-ol [French] [ACD/IUPAC Name]
Aurachin A
Furo[2,3-c]quinoline-2-methanol, α-[(3E)-4,8-dimethyl-3,7-nonadien-1-yl]-1,2-dihydro-α,4-dimethyl-, 5-oxide, (αS,2R)- [ACD/Index Name]
108354-15-0 [RN]
aurichan-A
rel-(2R,5E)-6,10-dimethyl-2-[(2S)4-methyl-5-oxido-1,2-dihydrofuro[2,3-c]quinolin-2-yl]undeca-5,9-dien-2-ol
  • Miscellaneous

    • Chemical Class:

      An A-type aurichin that is 1,2-dihydrofuro[2,3-c]quinoline 5-oxide which is substituted at position 2 by a (6E)-10-hydroxy-2,6-dimethylundeca-2,6-dien-10-yl group and at position 4 by a methyl group ( relative configuration shown). Found in the myxobacterium <ital>Stigmatella aurantiaca</ital> strain Sg a15. ChEBI CHEBI:90924
      An A-type aurichin that is 1,2-dihydrofuro[2,3-c]quinoline 5-oxide which is substituted at position 2 by a (6E)-10-hydroxy-2,6-dimethylundeca-2,6-dien-10-yl group and at position 4 by a methyl group ( relative configuration shown). Found in the myxobacterium Stigmatella aurantiaca strain Sg a15. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90924, CHEBI:90924

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

Density: 1.1±0.1 g/cm3
Boiling Point: 566.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 89.5±3.0 kJ/mol
Flash Point: 296.6±27.9 °C
Index of Refraction: 1.558
Molar Refractivity: 116.8±0.5 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.05
ACD/LogD (pH 5.5): 4.98
ACD/BCF (pH 5.5): 3570.61
ACD/KOC (pH 5.5): 12151.29
ACD/LogD (pH 7.4): 4.98
ACD/BCF (pH 7.4): 3571.32
ACD/KOC (pH 7.4): 12153.71
Polar Surface Area: 55 Å2
Polarizability: 46.3±0.5 10-24cm3
Surface Tension: 37.7±7.0 dyne/cm
Molar Volume: 362.1±7.0 cm3

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