Valerenol

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-10(9-16)8-13-6-4-11(2)14-7-5-12(3)15(13)14/h8,11,13-14,16H,4-7,9H2,1-3H3/b10-8-/t11-,13+,14?/m1/s1
IUPAC Standard InChIKey: KIQXKOUFPHTUQS-XJYRDZPNSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
- Valerenol
- Valerenol (cis)
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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, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1661.	Dehghan, Solaimanian, et al., 2007	25. m/0.25 mm/0.25 μm, He, 60. C @ 2. min, 4. K/min; T_end: 240. C
Capillary	HP-5MS	1711.	Saroglou, Dorizas, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	HP-5	1655.	Fokialakis, Magiatis, et al., 2002	30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	HP-5	1686.	Kovacevic, Pavlovic, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SPB-5	1729.	Raal, Orav, et al., 2007	30. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 50. C; T_end: 250. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1655.	Letchamo, Ward, et al., 2004	30. m/0.25 mm/0.25 μm, He; Program: 60C(4min) => 6C/min => 240 => 10C/min => 280C

References

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Dehghan, Solaimanian, et al., 2007
Dehghan, G.; Solaimanian, R.; Shahverdi, A.R.; Amin, G.; Abdollahi, M.; Shafiee, A., Chemical composition and antimicrobial activity of essential oil of Ferula szovitsiana D.C., Flavour Fragr. J., 2007, 22, 3, 224-227, https://doi.org/10.1002/ffj.1789 . [all data]

Saroglou, Dorizas, et al., 2006
Saroglou, V.; Dorizas, N.; Kypriotakis, Z.; Skaltsa, H.D., Analysis of the essential oil composition of eight Anthemis species from Greece, J. Chromatogr. A, 2006, 1104, 1-2, 313-322, https://doi.org/10.1016/j.chroma.2005.11.087 . [all data]

Fokialakis, Magiatis, et al., 2002
Fokialakis, N.; Magiatis, P.; Mitaku, S., Essential oil constituents of Valeriana italica and Valeriana tuberosa. Stereochemical and conformational study of 15-acetoxyvaleranone, Z. Naturforsch., 2002, 57c, 791-796. [all data]

Kovacevic, Pavlovic, et al., 2002
Kovacevic, N.; Pavlovic, M.; Menkovic, N.; Tzakou, O.; Couladis, M., Composition of the essential oil from roots and rhizomes of Valeriana pancicii Halácsy Bald, Flavour Fragr. J., 2002, 17, 5, 355-357, https://doi.org/10.1002/ffj.1100 . [all data]

Raal, Orav, et al., 2007
Raal, A.; Orav, A.; Arak, E.; Kailas, T.; Müürisepp, M., Variation in the composition of the essential oil of Valeriana officinalis L. roots from Estonia, Proc. Est. Acad. Sci. Chem., 2007, 56, 2, 67-74. [all data]

Letchamo, Ward, et al., 2004
Letchamo, W.; Ward, W.; Heard, B.; Heard, D., Essential oil of Valeriana officinalis L. cultivars and their antimicrobial activity as influenced by harvesting time under commercial organic cultivation, J. Agric. Food Chem., 2004, 52, 12, 3915-3919, https://doi.org/10.1021/jf0353990 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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