4-Desmethyl caryophylla-8(14)-en-5-one
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-10-7-8-11(15)5-4-6-13-12(10)9-14(13,2)3/h12-13H,1,4-9H2,2-3H3
- IUPAC Standard InChIKey: SVROROODYLVLSH-UHFFFAOYSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: des-4-Methyl-caryophyll-8(14)-en-5-one; 4-Desmethylcaryophyll-8(14)-en-5-one
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1539. | Javidnia, Miri, et al., 2006 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 60. C; Tend: 250. C |
Normal alkane RI, polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-Innowax FSC | 2020. | Baser K.H.C. and Demirci B., 2007 | 60. m/0.25 mm/0.25 μm, N2; Program: 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| Capillary | Innowax FSC | 2020. | Demirci and Baser, 2003 | 60. m/0.25 mm/0.25 μm, He; Program: 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C |
References
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Javidnia, Miri, et al., 2006
Javidnia, K.; Miri, R.; Kamalinejad, M.; Khazraii, H.,
Chemical composition of the volatile oil of aerial parts of Valeriana sisymbriifolia Vahl. grown in Iran,
Flavour Fragr. J., 2006, 21, 3, 516-518, https://doi.org/10.1002/ffj.1660
. [all data]
Baser K.H.C. and Demirci B., 2007
Baser K.H.C.; Demirci B.,
Studies on Betula essential oils,
Arkivoc, 2007, 7, 335-348. [all data]
Demirci and Baser, 2003
Demirci, B.; Baser, K.H.C.,
Essential oils from the buds of Betula spp. growing in Turkey,
Flavour Fragr. J., 2003, 18, 2, 87-90, https://doi.org/10.1002/ffj.1159
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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