1-Naphthalenepropanol, α-ethenyldecahydro-2-hydroxy-α,2,5,5,8a-pentamethyl-, [1R-[1α(R*),2β,4aβ,8aα]]-

Formula: C₂₀H₃₆O₂
Molecular weight: 308.4986
IUPAC Standard InChI: InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18?,19?,20-/m0/s1
IUPAC Standard InChIKey: XVULBTBTFGYVRC-RBVQMXHFSA-N
CAS Registry Number: 515-03-7
Chemical structure:
This structure is also available as a 2d Mol file
Other names: Labd-14-ene-8,13-diol, (13R)-; Sclareol; 1-(3-Hydroxy-3-methyl-4-pentenyl)-2,5,5,8a-tetramethyldecahydro-2-naphthalenol; [1R-[1α(R*),2β,4aβ,8aα]]-2-hydroxy-α,2,5,5,8a-pentamethyl-α-vinyldecahydronaphthalene-1-propan-1-ol
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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

Kovats' RI, non-polar column, temperature ramp

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	2220.	Mita, Tsitsimpikou, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min, 240. C @ 20. 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	HP-5	2225.	Javidnia, Miri, et al., 2005	He, 3. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_start: 60. C; T_end: 260. C
Capillary	HP-5MS	2229.	Grujic-Jovanovic, Skaltsa, et al., 2004	30. m/0.25 mm/0.25 μm, He, 60. C @ 5. min, 4. K/min; T_end: 280. C
Capillary	HP-5	2200.	Pitarokili, Couladis, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	RTX-5 MS	2227.	Hudaib, Grazia Bellardi, et al., 2001	30. m/0.25 mm/0.25 μm, He, 70. C @ 10. min, 4. K/min, 210. C @ 10. min
Capillary	RTX-5 MS	2227.	Hudaib, Grazia Bellardi, et al., 2001	30. m/0.25 mm/0.25 μm, He, 70. C @ 10. min, 4. K/min, 210. C @ 10. min
Capillary	HP-5MS	2228.	Skaltsa, Mavrommati, et al., 2001	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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	2238.7	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)
Capillary	SE-52	2247.	Lorenzo, Paz, et al., 2004	25. m/0.32 mm/0.4 μm; Program: 60C(8min) => 3C/min => 180C => 20C/min => 250C(10min)

Normal alkane RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	SPB-1	2209.	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	HP-5	2228.	Monsef-Esfahani, Miri, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 5. min, 3. K/min; T_end: 240. C
Capillary	HP-5MS	2220.	Bozin B., Mlmica-Dukic N., et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C
Capillary	OV-101	2198.	Lattoo, Dhar, et al., 2006	25. m/0.25 mm/0.25 μm, He, 8. K/min; T_start: 100. C; T_end: 250. C
Capillary	HP-5MS	2198.	Pitarokili, Tzakou, et al., 2006	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 280. C

References

Go To: Top, Gas Chromatography, Notes

Mita, Tsitsimpikou, et al., 2002
Mita, E.; Tsitsimpikou, C.; Tsiveleka, L.; Petrakis, P.V.; Ortiz, A.; Vagias, C.; Roussis, V., Seasonal Variation of Oleoresin Terpenoids from Pinus halepensis and Pinus pinea and Host Selection of the Scale Insect Marchalina hellenica (Homoptera, Coccoidea, Margarodidae, Coelostonidiinae), Holzforschung, 2002, 56, 6, 572-578, https://doi.org/10.1515/HF.2002.087 . [all data]

Javidnia, Miri, et al., 2005
Javidnia, K.; Miri, R.; Jamalian, A., Composition of the essential oil of Salvia macrosiphon Boiss. from Iran, Flavour Fragr. J., 2005, 20, 5, 542-543, https://doi.org/10.1002/ffj.1468 . [all data]

Grujic-Jovanovic, Skaltsa, et al., 2004
Grujic-Jovanovic, S.; Skaltsa, H.D.; Marin, P.; Sokovic, M., Composition and antibacterial activity of the essential oil of six Stachys species from Serbia, Flavour Fragr. J., 2004, 19, 2, 139-144, https://doi.org/10.1002/ffj.1275 . [all data]

Pitarokili, Couladis, et al., 2002
Pitarokili, D.; Couladis, M.; Petsikos-Panayotarou, N.; Tzakou, O., Composition and antifungal activity on soil-borne pathogens of the essential oil of Salvia sclarea from Greece, J. Agric. Food Chem., 2002, 50, 23, 6688-6691, https://doi.org/10.1021/jf020422n . [all data]

Hudaib, Grazia Bellardi, et al., 2001
Hudaib, M.; Grazia Bellardi, M.; Rubies-Autonell, C.; Fiori, J.; Cavrini, V., Chromatographic (GC-MS, HPLC) and virological evaluations of Salvia sclarea infected by BBWV-I, Farmaco, 2001, 56, 3, 219-227, https://doi.org/10.1016/S0014-827X(01)01038-2 . [all data]

Skaltsa, Mavrommati, et al., 2001
Skaltsa, H.D.; Mavrommati, A.; Constantinidis, T., A chemotaxonomic investigation of volatile constituents in Stachys subsect. Swainsonianeae (Labiatae), Phytochemistry, 2001, 57, 2, 235-244, https://doi.org/10.1016/S0031-9422(01)00003-6 . [all data]

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

Lorenzo, Paz, et al., 2004
Lorenzo, D.; Paz, D.; Davies, P.; Villamil, J.; Vila, R.; Cañigueral, S.; Dellacassa, E., Characterization and enantiomeric distribution of some terpenes in the essential oil of a Uruguayan biotype of Salvia sclarea L., Flavour Fragr. J., 2004, 19, 4, 303-307, https://doi.org/10.1002/ffj.1282 . [all data]

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]

Monsef-Esfahani, Miri, et al., 2010
Monsef-Esfahani, H.R.; Miri, A.; Amini, M.; Amanzadeh, Y.; Hadjiakhoondi, A.; Hajiaghaee, R.; Ajani, Y., Seasonal variations in the chemical composition, antioxidant activity and total phenolic content of Teucrium persicum Boiss. essential oils, Res. J. Biol. Sci., 2010, 5, 7, 492-498, https://doi.org/10.3923/rjbsci.2010.492.498 . [all data]

Bozin B., Mlmica-Dukic N., et al., 2007
Bozin B.; Mlmica-Dukic N.; Samojlik I.; Jovin E., Antimicrobial and antioxidant properties of rosemary and sage (Rosmarinus officinalis L. and Salvia officinalis L., lamiaceae) essential oils, J. Agric. Food Chem., 2007, 55, 19, 7879-7885, https://doi.org/10.1021/jf0715323 . [all data]

Lattoo, Dhar, et al., 2006
Lattoo, S.K.; Dhar, R.S.; Dhar, A.K.; Sharma, P.R.; Agarwal, S.G., Dynamics of essential oil biosynthesis in relation to inflorescence and glandular ontogeny in Salvia sclarea, Flavour Fragr. J., 2006, 21, 5, 817-821, https://doi.org/10.1002/ffj.1733 . [all data]

Pitarokili, Tzakou, et al., 2006
Pitarokili, D.; Tzakou, O.; Loukis, A., Essential oil composition of Salvia verticillata, S. verbenaca, S. glutinosa and S. candidissima growing wild in Greece, Flavour Fragr. J., 2006, 21, 4, 670-673, https://doi.org/10.1002/ffj.1647 . [all data]

Notes

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Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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