14-Hydroxy-9-epi-β-caryophyllene

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-11-5-4-6-12(2)13-9-15(3,10-16)14(13)8-7-11/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15?/m1/s1
IUPAC Standard InChIKey: DFMBJBXEHZSTJQ-VMLHABITSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
Other names: 14-Hydroxy-9-epi-β-Caryophyllen
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Gas Chromatography

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Column type	Active phase	I	Reference	Comment
Capillary	CP Sil 8 CB	1664.	Mockute and Judzentiene, 2003	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1662.	Farsam, Amanlou, et al., 2007	30. m/0.25 mm/0.26 μm, Helium, 60. C @ 2. min, 4. K/min, 240. C @ 20. min
Capillary	DB-5	1668.	Zoghbi, Andrade, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-1	1662.	Bailac, Dellacasa, et al., 2001	60. m/0.248 mm/0.25 μm, N2, 60. C @ 5. min, 3. K/min, 220. C @ 22. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1670.	Arriaga, Rodrigues, et al., 2007	30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 4 0C/min -> 180 0C 10 0C/min -> 250 0C
Capillary	CP Sil 8 CB	1669.	Judpentienë and Mockutë, 2004	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min)
Capillary	CP Sil 8 CB	1664.	Mockute and Judzentiene, 2002	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C (2min)
Capillary	CP Sil 8 CB	1664.	Mockute and Judzentiene, 2002, 2	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 250C(2min)
Capillary	DB-5	1663.	Yusuf, Begum, et al., 1998	30. m/0.25 mm/0.25 μm, He; Program: 60C => 3C/min => 240C => 30C/min => 300C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-FFAP	2310.	Mockute and Judzentiene, 2003	He; Column length: 30. m; Column diameter: 0.25 mm; Program: 60C (2min) => 5C/min => 160C (1min) => 10C/min => 230C (12min)
Capillary	HP-FFAP	2310.	Mockute and Judzentiene, 2002, 2	He; Column length: 25. m; Column diameter: 0.22 mm; Program: 60C(2min) => 5C/min => 160C(1min) => 10C/min => 230C(12min)

References

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Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A., Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania, Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8 . [all data]

Farsam, Amanlou, et al., 2007
Farsam, H.; Amanlou, M.; Taghi-Cheetsaz, N.; Amin, G.R.; Saledi-Sormaghi, M.H., Essential Oil of Chimonanthus fragrans flowers Population of Tehran, DARU, 2007, 15, 3, 129-131. [all data]

Zoghbi, Andrade, et al., 2002
Zoghbi, M.G.B.; Andrade, E.H.A.; da Silva, M.H.; Maia, J.G.S.; Luz, A.I.R.; da Silva, J.D., Chemical variation in the essential oils of Hyptis crenata Pohl ex Benth., Flavour Fragr. J., 2002, 17, 1, 5-8, https://doi.org/10.1002/ffj.1031 . [all data]

Bailac, Dellacasa, et al., 2001
Bailac, P.N.; Dellacasa, A.D.; Bernasconi, H.O.; Ponzi, M.I.; Firpo, N.H., Essential oil of female plants of Baccharis coridifolia De Candole, J. Essent. Oil Res., 2001, 13, 1, 23-24, https://doi.org/10.1080/10412905.2001.9699593 . [all data]

Arriaga, Rodrigues, et al., 2007
Arriaga, A.M.C.; Rodrigues, F.E.A.; Lemos, T.L.G.; de Oliveira, M. daC.F.; Lima, J.Q.; Santiago, G.M.P.; Braz-Filho, R.B.; Mafezoli, J., Composition and larvicidal activity os essential oil from Stemodia maritima L., Natural Product Communications, 2007, 2, 12, 1237-1239. [all data]

Judpentienë and Mockutë, 2004
Judpentienë, A.; Mockutë, D., Chemical composition of essential oils produced by pink flower inflorescences of wild Achillea millefolium L., Chemija, 2004, 15, 28-32. [all data]

Mockute and Judzentiene, 2002
Mockute, D.; Judzentiene, A., Chemotypes of the essential oils of Achillea millefolium L. ssp. millefolium growing wild in Eastern Lithuania, Chemija, 2002, 13, 3, 168-173. [all data]

Mockute and Judzentiene, 2002, 2
Mockute, D.; Judzentiene, A., Chemical composition of the essential oils of Achillea millefolium L. ssp. millefolium (yarrow) growing wild in Vilnius, Chemija, 2002, 13, 2, 97-102. [all data]

Yusuf, Begum, et al., 1998
Yusuf, M.; Begum, J.; Mondello, L.; Stagno d'Alcontres, I.S., Studies on the essential oil bearing plants of Bangladesh. Part VI. Composition of the oil of Ocimum gratissimum L., Flavour Fragr. J., 1998, 13, 3, 163-166, https://doi.org/10.1002/(SICI)1099-1026(199805/06)13:3<163::AID-FFJ714>3.0.CO;2-1 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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