5-neo-Cedranol

Formula: C₁₅H₂₆O
Molecular weight: 222.3663
IUPAC Standard InChI: InChI=1S/C15H26O/c1-10-5-6-11-13(2,3)12-9-15(10,11)8-7-14(12,4)16/h10-12,16H,5-9H2,1-4H3/t10-,11?,12-,14-,15+/m0/s1
IUPAC Standard InChIKey: SVURIXNDRWRAFU-FWPZYLILSA-N
CAS Registry Number: 13567-44-7
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:
Other names: [3R-(3α,3aβ,5β,6β,7β,8aα)]-octahydro-3,6,8,8-tetramethyl-1H-3a,7-methanoazulen-5-ol
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Gas Chromatography

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

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1678.	Benkaci-Ali, Baaliouamer, et al., 2007	30. m/0.25 mm/0.25 μm, He, 60. C @ 8. min, 2. K/min, 250. C @ 30. min
Capillary	DB-5	1677.	Telascrea, de Araujo, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	HP-5MS	1677.	Demetzos, Angelopoulou, et al., 2002	30. m/0.25 mm/0.25 μm, 50. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	DB-5	1678.	Nogueira, Bittrich, et al., 2001	30. m/0.25 mm/0.25 μm, H2, 3. K/min; T_start: 60. C; T_end: 240. C

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1686.	Morteza-Semnani, Saeedi, et al., 2006	30. m/0.25 mm/0.25 μm, He, 60. C @ 4. min, 4. K/min; T_end: 260. C
Capillary	DB-5MS	1664.	Cherchi, Deidda, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5MS	1649.	Marongiu, Porcedda, et al., 2001	30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 30. min; T_start: 60. C

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1676.	Sharififar, Mozaffarian, et al., 2007	30. m/0.25 mm/0.25 μm, Helium; Program: not specified

Column type	Active phase	I	Reference	Comment
Capillary	TC-Wax	2235.	Miyazawa, Yamafuji, et al., 2003	3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 240. C

Go To: Top, Gas Chromatography, Notes

Benkaci-Ali, Baaliouamer, et al., 2007
Benkaci-Ali, F.; Baaliouamer, A.; Meklati, B.Y.; Chemat, F., Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation, Flavour Fragr. J., 2007, 22, 2, 148-153, https://doi.org/10.1002/ffj.1773 . [all data]

Telascrea, de Araujo, et al., 2007
Telascrea, M.; de Araujo, C.C.; Marques, M.O.M.; Facanali, R.; de Moraes, P.L.R.; Cavalheiro, A.J., Essential oil from leaves of Cryptocarya mandioccana Meisner (Lauraceae): Composition and intraspecific chemical variability, Biochem. Syst. Ecol., 2007, 35, 4, 222-232, https://doi.org/10.1016/j.bse.2006.09.015 . [all data]

Demetzos, Angelopoulou, et al., 2002
Demetzos, C.; Angelopoulou, D.; Perdetzoglou, D., A comparative study of the essential oils of Cistus salviifolius in several populations of Crete (Greece), Biochem. Syst. Ecol., 2002, 30, 7, 651-665, https://doi.org/10.1016/S0305-1978(01)00145-4 . [all data]

Nogueira, Bittrich, et al., 2001
Nogueira, P.C.L.; Bittrich, V.; Shepherd, G.J.; Lopes, A.V.; Marsaioli, A.J., The ecological and taxonomic importance of flower volatiles of Clusia species (Guttiferae), Phytochemistry, 2001, 56, 5, 443-452, https://doi.org/10.1016/S0031-9422(00)00213-2 . [all data]

Morteza-Semnani, Saeedi, et al., 2006
Morteza-Semnani, K.; Saeedi, M.; Akbarsadeh, M.; Moshiri, K., The essential oil composition of Onosma microcarpum DC., Flavour Fragr. J., 2006, 21, 2, 314-316, https://doi.org/10.1002/ffj.1597 . [all data]

Cherchi, Deidda, et al., 2001
Cherchi, G.; Deidda, D.; de Gioannis, B.; Marongiu, B.; Pompei, R.; Porcedda, S., Extraction of Santolina insularis essential oil by supercritical carbon dioxide: influence of some process parameters and biological activity, Flavour Fragr. J., 2001, 16, 1, 35-43, https://doi.org/10.1002/1099-1026(200101/02)16:1<35::AID-FFJ942>3.0.CO;2-Y . [all data]

Marongiu, Porcedda, et al., 2001
Marongiu, B.; Porcedda, S.; Porta, G.D.; Reverchon, E., Extraction and isolation of Salvia desoleana and Mentha spicata subsp. insularis essential oils by supercritical CO₂, Flavour Fragr. J., 2001, 16, 5, 384-388, https://doi.org/10.1002/ffj.1021 . [all data]

Sharififar, Mozaffarian, et al., 2007
Sharififar, F.; Mozaffarian, V.; Moradkhani, S., Comparison of antioxidant and free radical scavenging activities of the essential oils from flowers and fruits of Otostegia persica Boiss., Pakistan J. Biol. Sci., 2007, 10, 21, 3895-3899, https://doi.org/10.3923/pjbs.2007.3895.3899 . [all data]

Miyazawa, Yamafuji, et al., 2003
Miyazawa, M.; Yamafuji, C.; Kurose, K.; Ishikawa, Y., Volatile components of the rhizomes of Cirsium japonicum DC, Flavour Fragr. J., 2003, 18, 1, 15-17, https://doi.org/10.1002/ffj.1135 . [all data]

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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