Isospathulenol

Formula: C₁₅H₂₄O
Molecular weight: 220.3505
IUPAC Standard InChI: InChI=1S/C15H24O/c1-9-5-6-11-13(14(11,2)3)12-10(9)7-8-15(12,4)16/h10-13,16H,1,5-8H2,2-4H3/t10-,11+,12+,13+,15+/m0/s1
IUPAC Standard InChIKey: FRMCCTDTYSRUBE-KMCWBVRRSA-N
Chemical structure:
This structure is also available as a 2d Mol file
Stereoisomers:
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Gas Chromatography

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

Normal alkane RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	1623.	Lazarevic, Palic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min
Capillary	DB-5 MS	1628.	Silva, Pott, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 3. K/min; T_start: 60. C; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1640.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: 60 0C (5 min) 4 0C/min -> 220 0C 11 0C/min -> 280 0C (15 min)
Capillary	HP-5	1638.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: not specified
Capillary	HP-5 MS	1644.	Zellner, Amorim, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 32 0C (1 min) 50 0C/min -> 115 0C 1.5 0C/min -> 145 0C 12 0C/min -> 240 0C (10 min)

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	2224.	Feng, Cui, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min, 220. C @ 5. min

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	2225.	Feng, Cui, et al., 2011	60. m/0.25 mm/0.25 μm, Helium; Program: not specified

References

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Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S., Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species, J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L . [all data]

Silva, Pott, et al., 2010
Silva, D.B.; Pott, A.; Oliveira, D.C.R., Analyses of the headspace volatile constituents of aerial parts (leaves and stems), flowers and fruits of Bidens gardneri Bak. and Bidens sulphurea (Cav.) Sch. Bip. using solid-phase microextraction, J. Essen. Oil Res., 2010, 22, 6, 560-563, https://doi.org/10.1080/10412905.2010.9700400 . [all data]

Custer, 2009
Custer, Y., GC Volatile Components Analysis of Different Parts of Litchi chinensis (Dissertation), 2009. [all data]

Zellner, Amorim, et al., 2009
Zellner, B.D.; Amorim, A.C.L.; de Miranda A.L.P.; Alves, R.J.V.; Barbosa, J.P.; da Costa, G.L.; Rezende, C.M., Screening of the odor-activity and bioactiovity of the essential oils of leaves and flowers of Hyptis Passerina Mart. from the Brazilian Cerrado, J. Braz. Chem. Soc., 2009, 20, 2, 322-332, https://doi.org/10.1590/S0103-50532009000200018 . [all data]

Feng, Cui, et al., 2011
Feng, T.; Cui, J.-J.; Xiao, Z.-B.; Tian, H.-X.; Yi, F.-P.; Ma, X., Chemical composition od essential oil from the peel of Chinese Torreya grandis Frt, Org. Chem. International, 2011, 2011, 1-5, https://doi.org/10.1155/2011/187372 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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