α-Calacorene
- Formula: C15H20
- Molecular weight: 200.3193
- IUPAC Standard InChI: InChI=1S/C15H20/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-7,9-10,13H,8H2,1-4H3
- IUPAC Standard InChIKey: CUUMXRBKJIDIAY-UHFFFAOYSA-N
- CAS Registry Number: 21391-99-1
- Chemical structure:
This structure is also available as a 2d Mol file - Other names: 1-Isopropyl-4,7-dimethyl-1,2-dihydronaphthalene, (S)-; α-Calacorene, (+)-; Cadina-1,3,5,9-tetraene; α-Calacorene I; (E)-Calacorene; α-Calacorene (isomer II)
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Kovats' RI, non-polar column, custom temperature program
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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 |
|---|---|---|
| Active phase | CP Sil 8 CB | DB-5MS |
| Column length (m) | 50. | 30. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 60C(1min) => 3C/min => 70C => 15C/min => 170C(8min) => 5C/min => 250C | 60C(5min) => 2C/min => 140C= 5C/min => 250C(5min) |
| I | 1546. | 1542. |
| Reference | Radusiene, Judzentiene, et al., 2005 | Tuberoso, Kowalczyk, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, non-polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Radusiene, Judzentiene, et al., 2005
Radusiene, J.; Judzentiene, A.; Bernotiene, G.,
Essential oil composition and variability of Hypericum perforatum L. growing in Lithuania,
Biochem. Syst. Ecol., 2005, 33, 2, 113-124, https://doi.org/10.1016/j.bse.2004.06.010
. [all data]
Tuberoso, Kowalczyk, et al., 2005
Tuberoso, C.I.G.; Kowalczyk, A.; Coroneo, V.; Russo, M.T.; Dessì, S.; Cabras, P.,
Chemical Composition and Antioxidant, Antimicrobial, and Antifungal Activities of the Essential Oil of Achillea ligustica All.,
J. Agric. Food Chem., 2005, 53, 26, 10148-10153, https://doi.org/10.1021/jf0518913
. [all data]
Notes
Go To: Top, Kovats' RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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