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
- IUPAC Standard InChIKey: HVAVUZLEYSAYGE-XQKBIRTKSA-N
- CAS Registry Number: 5956-09-2
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- 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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Normal alkane RI, non-polar column, temperature ramp
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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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5MS | DB-1 | DB-5MS | DB-1 | DB-5MS |
| Column length (m) | 25. | 50. | 30. | 50. | 30. |
| Carrier gas | He | N2 | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 50. | 90. | 60. | 95. | 60. |
| Tend (C) | 250. | 240. | 240. | 240. | 240. |
| Heat rate (K/min) | 3. | 4. | 3. | 4. | 3. |
| Initial hold (min) | 3. | ||||
| Final hold (min) | 10. | ||||
| I | 1496. | 1475. | 1496. | 1475. | 1496. |
| Reference | Ghasemi Y., Faridi P., et al., 2005 | Velasco-Negueruela, Pérez-Alonso, et al., 2005 | Maia, Zoghbi, et al., 2002 | Velasco-Negueruela, Pérez-Alonso, et al., 2002 | Zoghbi, Andrade, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Ghasemi Y., Faridi P., et al., 2005
Ghasemi Y.; Faridi P.; Mehregan I.; Mohagheghzadeh A.,
Ferula gummosa fruits: An aromatic antimicrobial agent,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 3, 311-314, https://doi.org/10.1007/s10600-005-0138-3
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2005
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; Pérez de Paz, P.L.; Palá-Paúl, J.; Sanz, J.,
Analysis by gas chromatography-mass spectrometry of the essential oils from the aerial parts of Pimpinella anagodendron Bolle and Pimpinella rupicola Svent., two endemic species to the Canary Islands, Spain,
J. Chromatogr. A, 2005, 1095, 1-2, 180-184, https://doi.org/10.1016/j.chroma.2005.09.074
. [all data]
Maia, Zoghbi, et al., 2002
Maia, J.G.S.; Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.L.; Luz, A.I.R.; da Silva, J.D.,
Essential oils composition of Eupatorium species growing wild in the Amazon,
Biochem. Syst. Ecol., 2002, 30, 11, 1071-1077, https://doi.org/10.1016/S0305-1978(02)00059-5
. [all data]
Velasco-Negueruela, Pérez-Alonso, et al., 2002
Velasco-Negueruela, A.; Pérez-Alonso, M.J.; de Paz, P.L.P.; Vallejo, C.G.; Palá-Paúl, J.; Iñigo, A.,
Chemical composition of the essential oils from the roots, fruits, leaves and stems of Pimpinella cumbrae link growing in the Canary Islands (Spain),
Flavour Fragr. J., 2002, 17, 6, 468-471, https://doi.org/10.1002/ffj.1131
. [all data]
Zoghbi, Andrade, et al., 1999
Zoghbi, M.G.B.; Andrade, E.H.A.; Maia, J.G.S.,
Volatile constituents from leaves and flowers of Alpinia speciosa K. Schum. and A. purpurata (Viell.) Schum.,
Flavour Fragr. J., 1999, 14, 6, 411-414, https://doi.org/10.1002/(SICI)1099-1026(199911/12)14:6<411::AID-FFJ854>3.0.CO;2-U
. [all data]
Notes
Go To: Top, Normal alkane RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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