Agarospirol

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-11-6-5-7-12(2)15(11)9-8-13(10-15)14(3,4)16/h6,12-13,16H,5,7-10H2,1-4H3/t12-,13-,15+/m0/s1
IUPAC Standard InChIKey: ICWHTQRTTHCUHW-KCQAQPDRSA-N
CAS Registry Number: 1460-73-7
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Stereoisomers:
- Hinesol
Other names: Agaruspirol; 2-((2R,5R,10R)-6,10-Dimethylspiro[4.5]dec-6-en-2-yl)propan-2-ol; 2-(6,10-Dimethylspiro[4.5]dec-6-en-2-yl)-2-propanol
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Information on this page:
Other data available:
- Mass spectrum (electron ionization)
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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-5MS	1646.	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1642.1	Andriamaharavo, 2014	30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1643.	Boukhris, Bouaziz, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 100. C @ 1. min, 10. K/min, 260. C @ 10. min
Capillary	HP-1	1628.	Wetwiayaklung, Thavanapong, et al., 2009	25. m/0.32 mm/0.17 μm, 50. C @ 5. min, 1. K/min, 260. C @ 5. min
Capillary	HP-5 MS	1646.	Adams, Beauchamp, et al., 2007	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 3. K/min, 230. C @ 10. min
Capillary	CP Sil 8 CB	1679.	Suárez, Vásquez, et al., 2005	He, 60. C @ 5. min, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 290. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	1620.	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	1648.	Custer, 2009	25. m/0.32 mm/0.17 μm, Helium; Program: not specified
Capillary	HP-1	1631.	Wetwiayaklung, Thavanapong, et al., 2009	25. m/0.32 mm/0.17 μm; Program: not specified
Capillary	RTX-5	1639.	Zachariah, Leela, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (5 min) 5 0C/min -> 110 0C 3 0C/min -> 220 0C (5 min)
Capillary	DB-1	1631.	Ishihara, Tsuneya, et al., 1993	Program: not specified

References

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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]

Andriamaharavo, 2014
Andriamaharavo, N.R., Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]

Boukhris, Bouaziz, et al., 2012
Boukhris, M.; Bouaziz, M.; Feki, I.; Jemai, H.; El Feki, A.; Sayadi, S., Hypoglycemic and antioxidant effects of leaf essential oil of Pelargonium graveolens L'Her. in alloxan induced diabetic rats, Lipids in Health and Disease, 2012, 11, 1, 1-10, https://doi.org/10.1186/1476-511X-11-81 . [all data]

Wetwiayaklung, Thavanapong, et al., 2009
Wetwiayaklung, P.; Thavanapong, N.; Charoenteeraboon, J., Chemical constituents and antimicrobial activity os essential oil and extracts of heartwood of Aquilaria crassna obtained from water distillation and supercritical fluid carbon dioxide extraction, Silpakorn U Sci. J., 2009, 3, 1, 25-33. [all data]

Adams, Beauchamp, et al., 2007
Adams, R.P.; Beauchamp, P.S.; Dev, V.; Dutz, S.M., New Natural Products Isolated from One-Seeded Juniperus of the Southwestern United States: Isolation and Occurence of 2-Ethenyl-3-methyl Phanol and Its Derivatives, J. Essent. Oil Res., 2007, 19, 2, 146-152, https://doi.org/10.1080/10412905.2007.9699247 . [all data]

Suárez, Vásquez, et al., 2005
Suárez, A.I.; Vásquez, L.J.; Manzano, M.A.; Compagnone, R.S., Essential oil composition of Croton cuneatus and Croton malambo growing in Venezuela, Flavour Fragr. J., 2005, 20, 6, 611-614, https://doi.org/10.1002/ffj.1498 . [all data]

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

Zachariah, Leela, et al., 2008
Zachariah, T.J.; Leela, N.K.; Maya, K.M.; Rema, J.; Mathew, P.A.; Vipin, T.M.; Krishnamoorthy, B., Chemical composition of leaf oils of Myristica beddomeii (King), Myristica fragrans (Houtt.) and Myristica malabarica (Lamk.), J. Spices Arom. Crops, 2008, 17, 1, 10-15. [all data]

Ishihara, Tsuneya, et al., 1993
Ishihara, M.; Tsuneya, T.; Uneyama, K., Components of the Volatile Concentrate of Agarwood, J. Essent. Oil Res., 1993, 5, 3, 283-289, https://doi.org/10.1080/10412905.1993.9698221 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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