14-Acetoxy-β-caryophyllene
- Formula: C17H26O2
- Molecular weight: 262.3871
- IUPAC Standard InChI: InChI=1S/C17H26O2/c1-12-6-5-7-14(11-19-13(2)18)8-9-16-15(12)10-17(16,3)4/h7,15-16H,1,5-6,8-11H2,2-4H3/b14-7-
- IUPAC Standard InChIKey: XLKYRVILZQUEJC-AUWJEWJLSA-N
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 14-Acetoxy-β-caryophyllene (=α-Betulenol acetate); 14-Acetoxy- β-caryophyllene (α-betulenol acetate)
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- Information on this page:
- Other data available:
- Options:
Normal alkane RI, 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 | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | Innowax FSC | Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | N2 | N2 | N2 | 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 | |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | not specified |
| I | 2272. | 2272. | 2272. | 2272. | 2272. |
| Reference | Baser K.H.C. and Demirci B., 2007 | Baser K.H.C. and Demirci B., 2007 | Klika, Demirci, et al., 2004 | Demirci and Baser, 2003 | Demirci B., Baser K.H.C., et al., 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, 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.
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]
Klika, Demirci, et al., 2004
Klika, K.D.; Demirci, B.; Salminen, J.-P.; Ovcharenko, V.V.; Vuorela, S.; Baser, K.H.C.; Pihlaja, K.,
New, Sesquiterpenoid-Type Bicyclic Compounds from the Buds of Betula pubescens -- Ring-Contracted Products of β-Caryophyllene?,
Eur.J.Org.Chem., 2004, 2004, 12, 2627-2635, https://doi.org/10.1002/ejoc.200300808
. [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]
Demirci B., Baser K.H.C., et al., 2000
Demirci B.; Baser K.H.C.; Ozek T.; Demirci F.,
Betulenols from Betula species,
Planta Medica, 2000, 66, 5, 490-493, https://doi.org/10.1055/s-2000-8591
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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