Longipinanol

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-13(2)7-5-8-14(3)10-6-9-15(4,16)12(14)11(10)13/h10-12,16H,5-9H2,1-4H3
IUPAC Standard InChIKey: QDCXLQJUFNZYHG-UHFFFAOYSA-N
CAS Registry Number: 39703-23-6
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
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Other names: trans-longipinanol
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Gas Chromatography

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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1550.	Marongiu, Piras, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; T_start: 60. C
Capillary	DB-5	1540.	Marongiu, Piras, et al., 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; T_start: 60. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-5	1567.	Shellie, Marriott, et al., 2003	30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; T_end: 250. C
Capillary	RTX-5	1575.	Mondello, Zappia, et al., 2002	30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min, 300. C @ 10. min

Van Den Dool and Kratz RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	RTX-Wax	1985.	Shellie, Marriott, et al., 2003	30. m/0.25 mm/0.25 μm, He, 45. C @ 6. min, 3. K/min; T_end: 250. C

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1565.	Wang, Kong, et al., 2006	25. m/0.32 mm/0.52 μm, H2, 50. C @ 5. min, 2.5 K/min; T_end: 280. C
Capillary	DB-5	1572.	Morteza-Semnani and Saeedi, 2005	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; T_end: 220. C
Capillary	HP-5	1566.	Velickovic, Randjelovic, et al., 2002	30. m/0.25 mm/0.25 μm, H2, 4. K/min; T_start: 40. C; T_end: 280. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1572.	Formisano C., Senatore F., et al., 2006	30. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 2C/min => 250C(15min) => 10C/min => 270C
Capillary	CP Sil 8 CB	1566.	Nivinskienë, Butkienë, et al., 2005	50. m/0.32 mm/0.25 μm, He; Program: 60C(1min) => 5C/min => 160C => 5C/min => 250C(3min)
Capillary	DB-5	1566.	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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Marongiu, Piras, et al., 2003
Marongiu, B.; Piras, A.; Pani, F.; Porcedda, S.; Ballero, M., Extraction, separation and isolation of essential oils from natural matrices by supercritical CO₂, Flavour Fragr. J., 2003, 18, 6, 505-509, https://doi.org/10.1002/ffj.1258 . [all data]

Shellie, Marriott, et al., 2003
Shellie, R.; Marriott, P.; Zappia, G.; Mondello, L.; Dugo, G., Interactive use of linear retention indices on polar and apolar columns with an MS-Library for reliable characterization of Australian tea tree and other Melaleuca sp. oils, J. Essent. Oil Res., 2003, 15, 5, 305-312, https://doi.org/10.1080/10412905.2003.9698597 . [all data]

Mondello, Zappia, et al., 2002
Mondello, L.; Zappia, G.; Cotroneo, A.; Bonaccorsi, I.; Chowdhury, J.U.; Yusuf, M.; Dugo, G., Studies on the essential oil-bearing plants of Bangladesh. Part VIII. Composition of some Ocimum oils O. basilicum L. var. purpurascens; O. sanctum L. green; O. sanctum L. purple; O. americanum L., citral type; O. americanum L., camphor type, Flavour Fragr. J., 2002, 17, 5, 335-340, https://doi.org/10.1002/ffj.1108 . [all data]

Wang, Kong, et al., 2006
Wang, P.; Kong, C.H.; Zhang, C.X., Chemical Composition and Antimicrobial Activity of the Essential Oil from Ambrosia trifida L., Molecules, 2006, 11, 7, 549-555, https://doi.org/10.3390/11070549 . [all data]

Morteza-Semnani and Saeedi, 2005
Morteza-Semnani, K.; Saeedi, M., The essential oil composition of Phlomis bruguieri Desf. from Iran, Flavour Fragr. J., 2005, 20, 3, 344-346, https://doi.org/10.1002/ffj.1459 . [all data]

Velickovic, Randjelovic, et al., 2002
Velickovic, D.T.; Randjelovic, N.V.; Ristic, M.S.; Smelcerovic, A.A.; Velickovic, A.S., Chemical composition and antimicrobial action of the ethanol extracts of Salvia pratensis L., Salvia glutinosa L. and Salvia aethiopis L., J. Serb. Chem. Soc., 2002, 67, 10, 639-646, https://doi.org/10.2298/JSC0210639V . [all data]

Formisano C., Senatore F., et al., 2006
Formisano C.; Senatore F.; Bruno M.; Bellone G., Chemical composition and antimicrobial activity of the essential oil of Phlomis ferruginea Ten. (Lamiaceae) growing wild in Southern Italy, Flavour Fragr. J., 2006, 21, 5, 848-851, https://doi.org/10.1002/ffj.1740 . [all data]

Nivinskienë, Butkienë, et al., 2005
Nivinskienë, O.; Butkienë, R.; Mockutë, D., Chemical composition of seed (fruit) essential oils of Angelica archangelica L. growing wild in Lithuania, Chemija, 2005, 16, 3-4, 51-54. [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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