2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3α,5aα,9α,9aα)]-

• 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?/m1/s1 Copy

  
• IUPAC Standard InChIKey: HVAVUZLEYSAYGE-XQKBIRTKSA-N Copy
• CAS Registry Number: 5956-09-2
• Chemical structure:
  This structure is also available as a 2d Mol file
• Stereoisomers:
  • Dihydroagarofurane
  • (3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine
  • trans-Dihydroagarofuran
  • β-Dihydroagarafuran
  • isodihydroagarofuran
  • α-Dihydroagarofuran
• Other names: (3R,5aS,9R,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine; Dihydro-β-agarofuran; β-Agarofuran, dihydro-; 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-; β-Dihydroagarofuran; Dihydroagarofuran; trans-Dihydroagarofuran; Deoxybaimuxino; 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, (3R,5aS,9R,9aS)-; β-Dihydroagarofurane; Dihydro-β-agarofurane
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• Information on this page:
  • Normal alkane RI, non-polar column, custom temperature program
  • References
  • Notes
• Other data available:
  • Gas Chromatography
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Normal alkane RI, non-polar column, custom temperature program

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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

References

Go To: Top, Normal alkane RI, non-polar column, custom temperature program, Notes

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

Schmidt, Noletto, et al., 2006
Schmidt, J.M.; Noletto, J.A.; Vogler, B.; Setzer, W.N., Abaco Bush Medicine: Chemical composition of the essential oils of four aromatic medicinal plants from Abaco Island, Bahamas, J. Herbs, Spices Medicinal Plants, 2006, 12, 3, 43-65, https://doi.org/10.1300/J044v12n03_04 . [all data]

Hamm, Bleton, et al., 2004
Hamm, S.; Bleton, J.; Tchapla, A., Headspace solid phase microextraction for screening for the presence of resins in Egyptian archaeological samples, J. Sep. Sci., 2004, 27, 3, 235-243, https://doi.org/10.1002/jssc.200301611 . [all data]

Weyerstahl, Marschall, et al., 2000
Weyerstahl, P.; Marschall, H.; Splittgerber, U.; Wolf, D.; Surburg, H., Constituents of Haitian vetiver oil, Flavour Fragr. J., 2000, 15, 6, 395-412, https://doi.org/10.1002/1099-1026(200011/12)15:6<395::AID-FFJ930>3.0.CO;2-9 . [all data]

Notes

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