4aβ,7α,7aβ-Nepetalactone
- Formula: C10H14O2
- Molecular weight: 166.2170
- IUPAC Standard InChI: InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3/t6-,8-,9-/m1/s1
- IUPAC Standard InChIKey: ZDKZHVNKFOXMND-FTLITQJKSA-N
- 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. - Stereoisomers:
- Other names: Nepetalactone, 4ab,7a,7ab; 4αβ,7α,7aβ-Nepetalactone
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- Other data available:
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Normal alkane RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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 | DB-1 | HP-5MS | DB-1 | DB-1 | OV-1 |
| Column length (m) | 60. | 30. | 60. | 60. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.20 |
| Phase thickness (μm) | 0.25 | 0.20 | |||
| Tstart (C) | 40. | 60. | 50. | 50. | 30. |
| Tend (C) | 250. | 280. | 250. | 250. | 220. |
| Heat rate (K/min) | 4. | 4. | 4. | 4. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1352. | 1400. | 1357. | 1352. | 1355. |
| Reference | Sefidkon, Jamzad, et al., 2006 | Sajjadi, 2005 | Dabiri and Sefidkon, 2003 | Dabiri and Sefidkon, 2003, 2 | de Pooter, Nicolai, et al., 1988 |
| 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.
Sefidkon, Jamzad, et al., 2006
Sefidkon, F.; Jamzad, Z.; Mirza, M.,
Chemical composition of the essential oil of five Iranian Nepeta species (N. crispa, N. mahanensis, N. ispahanica, N. eremophila and N. rivularis),
Flavour Fragr. J., 2006, 21, 5, 764-767, https://doi.org/10.1002/ffj.1668
. [all data]
Sajjadi, 2005
Sajjadi, S.E.,
Analysis of the essential oil of Nepeta sintenisii Bornm. from Iran,
DARU, 2005, 13, 2, 61-64. [all data]
Dabiri and Sefidkon, 2003
Dabiri, M.; Sefidkon, F.,
Chemical composition of the essential oil of Nepeta racemosa Lam. from Iran,
Flavour Fragr. J., 2003, 18, 2, 157-158, https://doi.org/10.1002/ffj.1151
. [all data]
Dabiri and Sefidkon, 2003, 2
Dabiri, M.; Sefidkon, F.,
Chemical compositional of Nepeta crassifolia Boiss. Buhse oil from Iran,
Flavour Fragr. J., 2003, 18, 3, 225-227, https://doi.org/10.1002/ffj.1199
. [all data]
de Pooter, Nicolai, et al., 1988
de Pooter, H.L.; Nicolai, B.; De Laet, J.; De Buyck, L.F.; Schamp, N.M.; Goetghebeur, P.,
The Essential Oils of Five Nepeta Species. A Preliminary Evaluation of their Use in Chemotaxonomy by Cluster Analysis,
Flavour Fragr. J., 1988, 3, 4, 155-159, https://doi.org/10.1002/ffj.2730030404
. [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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