Dihydroedulan I
- Formula: C13H22O
- Molecular weight: 194.3132
- IUPAC Standard InChI: InChI=1S/C13H22O/c1-10-6-7-11-12(2,3)8-5-9-13(11,4)14-10/h5,9-11H,6-8H2,1-4H3/t10-,11+,13+/m1/s1
- IUPAC Standard InChIKey: IVTQSEFLDHBCDZ-MDZLAQPJSA-N
- CAS Registry Number: 63335-66-0
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- 2H-1-Benzopyran, 3,4,4a,5,6,8a-hexahydro-2,5,5,8a-tetramethyl-, (2α,4aα,8aα)-
- 2,5,5,8a-Tetramethyl-3,4,4a,5,6,8a-hexahydro-2H-chromene
- Dihydroedulan IA
- Dihydroedulan IIA
- Dihydroedulan-isomer
- Dihydroedulan
- [1R,3S,6R]-1,3,7,7-Tetramethyl-2-oxabicyclo[4,4,0]dec-9-ene
- Dihydroedulane-II
- Dihydroedulane II
- Other names: Edulan I dihydro; [2α,4aα,8a,α]-2H-1-Benzopyran,3,4,4a,5,6,8a-hexahydro-2,5,5,8a-tetramethyl; Dihydroedulan I (trans)
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
- Other data available:
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Van Den Dool and Kratz 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 | HP-5 | HP-5MS | HP-5MS | HP-5MS | HP-5MS |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | He | 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 | 0.25 |
| Tstart (C) | 40. | 80. | 80. | 80. | 60. |
| Tend (C) | 300. | 290. | 290. | 290. | 280. |
| Heat rate (K/min) | 4. | 2. | 4. | 6. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | |||||
| I | 1290. | 1293.6 | 1297.8 | 1300.3 | 1289. |
| Reference | Vundac, Pfeifhofer, et al., 2006 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Zhao, Liang, et al., 2005 | Grujic-Jovanovic, Skaltsa, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary |
|---|---|---|---|
| Active phase | HP-5 | SPB-5 | HP-5 |
| Column length (m) | 30. | 30. | 30. |
| Carrier gas | He | He | He |
| Substrate | |||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 50. |
| Tend (C) | 280. | 250. | 280. |
| Heat rate (K/min) | 4. | 4. | 4. |
| Initial hold (min) | 5. | 2. | 5. |
| Final hold (min) | 20. | ||
| I | 1289. | 1286. | 1289. |
| Reference | Skaltsa, Demetzos, et al., 2003 | Pino, Marbot, et al., 2002 | Lazari, Skaltsa, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz 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.
Vundac, Pfeifhofer, et al., 2006
Vundac, V.B.; Pfeifhofer, H.W.; Brantner, A.H.; Males, Z.; Plazibat, M.,
Essential oils of seven Stachys taxa from Croatia,
Biochem. Syst. Ecol., 2006, 34, 12, 875-881, https://doi.org/10.1016/j.bse.2006.04.010
. [all data]
Zhao, Liang, et al., 2005
Zhao, C.-X.; Liang, Y.-Z.; Fang, H.-Z.; Li, X.-N.,
Temperature-programmed retention indices for gas chromatography-mass spectroscopy analysis of plant essential oils,
J. Chromatogr. A, 2005, 1096, 1-2, 76-85, https://doi.org/10.1016/j.chroma.2005.09.067
. [all data]
Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M.,
Composition and antibacterial activity of the essential oil of six Stachys species from Serbia,
Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [all data]
Pino, Marbot, et al., 2002
Pino, J.; Marbot, R.; Rosado, A.,
Volatile constituents of star apple (Chrysophyllum cainito L.) from Cuba,
Flavour Fragr. J., 2002, 17, 5, 401-403, https://doi.org/10.1002/ffj.1116
. [all data]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz 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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