trans-Dihydroagarofuran

• Formula: C₁₅H₂₆O
• Molecular weight: 222.3663
• IUPAC Standard InChI: InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11?,12?,14-,15-/m0/s1 Copy

  
• IUPAC Standard InChIKey: HVAVUZLEYSAYGE-FWIFWCIWSA-N Copy
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Dihydroagarofurane
  • 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3α,5aα,9α,9aα)]-
  • (3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine
  • β-Dihydroagarafuran
  • isodihydroagarofuran
  • α-Dihydroagarofuran
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Gas Chromatography
  • References
  • Notes
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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

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Normal alkane RI, non-polar column, custom temperature program

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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.

Salgueiro, Vila, et al., 1997
Salgueiro, L.R.; Vila, R.; Tomi, F.; Figueiredo, A.C.; Barroso, J.G.; Cañigueral, S.; Casanova, J.; da Cunha, A.P.; Adzet, T., Variability of essential oils of Thymus caespititius from Portugal, Phytochemistry, 1997, 45, 2, 307-311, https://doi.org/10.1016/S0031-9422(96)00872-2 . [all data]

Miguel, Simões, et al., 2004
Miguel, G.; Simões, M.; Figueiredo, A.C.; Barroso, J.G.; Pedro, L.G.; Carvalho, L., Composition and antioxidant activities of the essential oils of Thymus caespititius, Thymus camphoratus and Thymus mastichina, Food Chem., 2004, 86, 2, 183-188, https://doi.org/10.1016/j.foodchem.2003.08.031 . [all data]

Notes

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