Caryophylla-4(12),8(13)-dien-5-β-ol
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-14,16H,1-2,5-9H2,3-4H3/t12-,13-,14-/m0/s1
- IUPAC Standard InChIKey: CIIYOYPOMGIECX-IHRRRGAJSA-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. - Species with the same structure:
- Stereoisomers:
- Caryophylla-4(12),8(13)-dien-5α-ol
- 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecan-5β-ol
- Caryophylladienol I
- Caryophylla-3(15),7(14)-dien-6-ol
- Caryophylla-4,8-dien-5-ol
- Caryophylla-4(12),8(13) diene 5 β-ol
- Caryophylle-4(12),8(13)-dien-5β-ol
- Caryophylla-4(15),8(13)-dien-5-α-ol
- Caryophylladienol II
- Caryophylla-4(12),8(13)-diene-5β-ol
- Caryophylla-4(12),8(13)-dien-5-ol
- Other names: α-Caryophylladienol; Caryophylla-4(12).8(13)-diene-5β-ol
- Information on this page:
- Options:
Gas Chromatography
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
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1661. | Jalali-Heravi, Zekavat, et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 250. C @ 20. min |
| Capillary | DB-1 | 1622. | Mevy, Bessiere, et al., 2006 | He, 60. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tend: 220. C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1668. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 5. min, 4. K/min; Tend: 280. C |
| Capillary | HP-5 | 1637. | Kucuk, Gulec, et al., 2006 | 30. m/0.32 mm/0.25 μm, Helium, 60. C @ 2. min, 5. K/min, 260. C @ 13. min |
| Capillary | HP-5MS | 1632. | Malencic, Couladis, et al., 2004 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 280. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1634. | Cole, Haber, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(10min) => 3C/min => 200C => 2C/min => 220C |
| Capillary | HP-5 MS | 1635. | Eason and Setzer, 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1634. | Setzer, Stokes, et al., 2007 | Helium; Column length: 30. m; Column diameter: 0.25 mm; Program: 40 0C (10 min) 3 oC/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1634. | Schmidt, Noletto, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
| Capillary | HP-5 MS | 1635. | Schmidt, Noletto, et al., 2006 | 30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (10 min) 3 0C/min -> 200 0C 2 0C/min -> 220 0C |
Normal alkane RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP Innowax | 2299. | Capetanos, Saroglou, et al., 2007 | 30. m/0.32 mm/0.50 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 260. C |
| Capillary | DB-Wax | 2292. | Lee, Umano, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 180. C @ 40. min; Tstart: 50. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Innowax | 2316. | Baser, Kürkcüoglu, et al., 1998 | 60. m/0.25 mm/0.25 μm; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
References
Go To: Top, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Jalali-Heravi, Zekavat, et al., 2006
Jalali-Heravi, M.; Zekavat, B.; Sereshti, H.,
Characterization of essential oil components of Iranian geranium oil using gas chromatography-mass spectrometry combined with chemometric resolution techniques,
J. Chromatogr. A, 2006, 1114, 1, 154-163, https://doi.org/10.1016/j.chroma.2006.02.034
. [all data]
Mevy, Bessiere, et al., 2006
Mevy, J.P.; Bessiere, J.M.; Rabier, J.; Dherbomez, M.; Ruzzier, M.; Millogo, J.; Viano, J.,
Composition and antimicrobial activities of the essential oil of Triumfetta rhomboidea Jacq.,
Flavour Fragr. J., 2006, 21, 1, 80-83, https://doi.org/10.1002/ffj.1511
. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Kucuk, Gulec, et al., 2006
Kucuk, M.; Gulec, C.; Yasar, A.; Ucuncu, O.; Yayh, N.; Coskuncelebi, K.; Terzioglu, S.; Yayh, N.,
Chemical composition and antimicrobial activities of the essential oils of Teucrium chamaedrys subsp. chamaedrys, T. orientale var. puberulens, and T. chamaedrys subsp. lydium,
Pharm. Biol., 2006, 44, 8, 592-599, https://doi.org/10.1080/13880200600896868
. [all data]
Malencic, Couladis, et al., 2004
Malencic, Dj.; Couladis, M.; Mimica-Dukic, N.; Popovic, M.; Boza, P.,
Essential oils of three Salvia species from the Pannonian part of Serbia,
Flavour Fragr. J., 2004, 19, 3, 225-228, https://doi.org/10.1002/ffj.1291
. [all data]
Cole, Haber, et al., 2007
Cole, R.A.; Haber, W.A.; Setzer, W.N.,
Chemical composition of essential oils of seven species of Eugenia from Monteverde, Costa Rica,
Biochem. Syst. Ecol., 2007, 35, 12, 877-886, https://doi.org/10.1016/j.bse.2007.06.013
. [all data]
Eason and Setzer, 2007
Eason, H.M.; Setzer, W.N.,
BArk essential oil composition of Cedrela tinduzii C. DC. (Meliaceae) from Monteverde, Costa Rica,
Rec. NAt. Prod., 2007, 1, 2-3, 24-27. [all data]
Setzer, Stokes, et al., 2007
Setzer, W.N.; Stokes, S.L.; Penton, A.F.; Takaku, S.; Haber, W.A.; Hansell, E.; Caffrey, C.R.; McKerrow, J.H.,
Cruzain inhibitory activity of leaf essential oils of neotropical Lauraceae and essential oil components,
Natural Product Communications, 2007, 2, 12, 1203-1210. [all data]
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]
Lee, Umano, et al., 2005
Lee, S.-J.; Umano, K.; Shibamoto, T.; Lee, K.-G.,
Identification of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties,
Food Chem., 2005, 91, 1, 131-137, https://doi.org/10.1016/j.foodchem.2004.05.056
. [all data]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
- The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
- Customer support for NIST Standard Reference Data products.