(3R,5aR,9S,9aS)-2,2,5a,9-Tetramethyloctahydro-2H-3,9a-methanobenzo[b]oxepine

• 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 Copy

  
• IUPAC Standard InChIKey: HVAVUZLEYSAYGE-UHFFFAOYSA-N Copy
• CAS Registry Number: 765307-45-7
• 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)]-
  • trans-Dihydroagarofuran
  • β-Dihydroagarafuran
  • isodihydroagarofuran
  • α-Dihydroagarofuran
• Other names: 4-Epi-cis-Dihydroagarofuran; Froggatt ether
• 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

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.

Radulovic, Blagojevic, et al., 2010
Radulovic, N.; Blagojevic, P.; Palic, R., Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae), Molecules, 2010, 15, 9, 6168-6185, https://doi.org/10.3390/molecules15096168 . [all data]

Notes

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