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 Copy

  
• IUPAC Standard InChIKey: XVULBTBTFGYVRC-RBVQMXHFSA-N Copy
• 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
• Permanent link for this species. Use this link for bookmarking this species for future reference.
• Information on this page:
  • Mass spectrum (electron ionization)
  • Gas Chromatography
  • References
  • Notes
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Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Spectrum

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Additional Data

Gas Chromatography

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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

Kovats' RI, non-polar column, temperature ramp

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

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

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Normal alkane RI, non-polar column, temperature ramp

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References

Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

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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