megastigmatrien-3-one

• Formula: C₁₃H₁₈O
• Molecular weight: 190.2814
• IUPAC Standard InChI: InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5?,12-7+ Copy

  
• IUPAC Standard InChIKey: CBQXHTWJSZXYSK-DOHVUMKLSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file or as a computed 3d SD file
  The 3d structure may be viewed using Java or Javascript.
• Species with the same structure:
  • 4,6,8-Megastigmatrien-3-one, isomer # 1
  • 4,6,8-Megastigmatrien-3-one, isomer # 2
• Stereoisomers:
  • Megastigma-4,6,8-trien-3-one
  • (E,E)-Megastigma-4,6,8-trien-3-one
  • (6E,8Z)-4,6,8-megastigmatrien-3-one
  • (6Z,8E)-Megastigma-4,6,8-trien-3-one
  • (6Z,8Z)-4,6,8-megastigmatrien-3-one
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
• Options:
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Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Normal alkane RI, non-polar column, temperature ramp

View large format table.

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Osorio, Duque, et al., 2003
Osorio, C.; Duque, C.; Batista-Viera, F., Studies on aroma generation in lulo (Solanum quitoense): enzymatic hydrolysis of glycosides from leaves, Food Chem., 2003, 81, 3, 333-340, https://doi.org/10.1016/S0308-8146(02)00427-2 . [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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