1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3α,4aα,6aβ,10aα,10bβ)]-
- Formula: C20H34O
- Molecular weight: 290.4834
- IUPAC Standard InChI: InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m1/s1
- IUPAC Standard InChIKey: IGGWKHQYMAJOHK-LHDHZVESSA-N
- CAS Registry Number: 1227-93-6
- 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: Labd-14-ene, 8,13-epoxy-, (13S)-; Epimanoyl oxide; Oxyde d'epi-13-manoyle; 13-Epimanoyl oxide; epi-13-Manoyl oxide; 13-epi-Manool oxide; 13-epi-Manoyl oxide (=8 α-13-oxy-14-en-epilabdane)
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Van Den Dool and Kratz RI, non-polar column, temperature ramp
Go To: Top, References, Notes
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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | CP Sil 5 CB | HP-5 | BP-1 | HP-5 |
| Column length (m) | 30. | 50. | 30. | 50. | 30. |
| Carrier gas | N2 | H2 | N2 | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.22 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.13 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 40. | 60. | 60. | 60. |
| Tend (C) | 220. | 300. | 220. | 220. | 220. |
| Heat rate (K/min) | 5. | 4. | 5. | 2. | 5. |
| Initial hold (min) | 10. | 10. | 10. | ||
| Final hold (min) | 10. | 20. | |||
| I | 2013. | 1967. | 2011. | 2016. | 2011. |
| Reference | Celik, Gokturk, et al., 2005 | Idzojtic, Kajba, et al., 2005 | Ceccarini, Macchia, et al., 2004 | Gonny, Bradesi, et al., 2004 | Flamini, Luigi Cioni, et al., 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5 | HP-5MS | CP Sil 5 CB | DB-5 |
| Column length (m) | 30. | 30. | 30. | 50. | 30. |
| Carrier gas | He | He | H2 | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.15 | 0.25 |
| Tstart (C) | 60. | 60. | 50. | 40. | 60. |
| Tend (C) | 240. | 280. | 280. | 300. | 260. |
| Heat rate (K/min) | 3. | 4. | 3. | 4. | 4. |
| Initial hold (min) | 5. | 5. | 3. | ||
| Final hold (min) | |||||
| I | 2012. | 2012. | 2010. | 2014. | 2010. |
| Reference | Macchioni, Cioni, et al., 2003 | Skaltsa, Demetzos, et al., 2003 | Demetzos, Angelopoulou, et al., 2002 | Heinrich, Pfeifhofer, et al., 2002 | Javidnia, Miri, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | BP-1 | HP-5MS | HP-5 | CP Sil 5 CB |
| Column length (m) | 30. | 50. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | H2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.22 | 0.25 | 0.25 | 0.22 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.13 |
| Tstart (C) | 60. | 60. | 60. | 50. | 40. |
| Tend (C) | 280. | 220. | 280. | 280. | 300. |
| Heat rate (K/min) | 3. | 2. | 4. | 4. | 4. |
| Initial hold (min) | 5. | 5. | |||
| Final hold (min) | 20. | 10. | |||
| I | 2007. | 2016. | 2011. | 2013. | 2030. |
| Reference | Pitarokili, Couladis, et al., 2002 | Rezzi, Bighelli, et al., 2001 | Skaltsa, Mavrommati, et al., 2001 | Lazari, Skaltsa, et al., 2000 | Pfeifhofer, 2000 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Celik, Gokturk, et al., 2005
Celik, S.; Gokturk, R.S.; Flamini, G.; Cioni, P.L.; Morelli, I.,
Essential oils of Phlomis leucophracta, Phlomis chimerae and Phlomis grandiflora var. grandiflora from Turkey,
Biochem. Syst. Ecol., 2005, 33, 6, 617-623, https://doi.org/10.1016/j.bse.2004.11.010
. [all data]
Idzojtic, Kajba, et al., 2005
Idzojtic, M.; Kajba, D.; Franjic, J.,
Differentiation of F1 hybrids P. nigra J. F. Arnold × P. sylvestris L., P. nigra J. F. Arnold × P. densiflora Siebold et Zucc., P. nigra J. F. Arnold × P. thunbergiana Franco and their parental species by needle volatile composition,
Biochem. Syst. Ecol., 2005, 33, 4, 427-439, https://doi.org/10.1016/j.bse.2004.10.008
. [all data]
Ceccarini, Macchia, et al., 2004
Ceccarini, L.; Macchia, M.; Flamini, G.; Cioni, P.L.; Caponi, C.; Morelli, I.,
Essential oil composition of Helianthus annuus L. leaves and heads of two cultivated hybride Carlos and Florom 350,
Ind. Crops Prod., 2004, 19, 1, 13-17, https://doi.org/10.1016/S0926-6690(03)00076-1
. [all data]
Gonny, Bradesi, et al., 2004
Gonny, M.; Bradesi, P.; Casanova, J.,
Identification of the components of the essential oil from wild Corsican Daucus carota L. using 13C-NMR spectroscopy,
Flavour Fragr. J., 2004, 19, 5, 424-433, https://doi.org/10.1002/ffj.1330
. [all data]
Flamini, Luigi Cioni, et al., 2003
Flamini, G.; Luigi Cioni, P.; Morelli, I.,
Variability of the essential oil of Viola etrusca,
Ann. Bot. Rome, 2003, 91, 4, 493-497, https://doi.org/10.1093/aob/mcg039
. [all data]
Macchioni, Cioni, et al., 2003
Macchioni, F.; Cioni, P.L.; Flamini, G.; Morelli, I.; Maccioni, S.; Ansaldi, M.,
Chemical composition of essential oils from needles, branches and cones of Pinus pinea, P. halepensis, P. pinaster and P. nigra from central Italy,
Flavour Fragr. J., 2003, 18, 2, 139-143, https://doi.org/10.1002/ffj.1178
. [all data]
Skaltsa, Demetzos, et al., 2003
Skaltsa, H.D.; Demetzos, C.; Lazari, D.; Sokovic, M.,
Essential oil analysis and antimicrobial activity of eight Stachys species from Greece,
Phytochemistry, 2003, 64, 3, 743-752, https://doi.org/10.1016/S0031-9422(03)00386-8
. [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]
Heinrich, Pfeifhofer, et al., 2002
Heinrich, G.; Pfeifhofer, H.W.; Stabentheiner, E.; Sawidis, T.,
Glandular hairs of Sigesbeckia jorullensis Kunth (Asteraceae): morphology, histochemistry and composition of essential oil,
Ann. Bot. Rome, 2002, 89, 4, 459-469, retrieved from http://www.aob.oupjournals.org, https://doi.org/10.1093/aob/mcf062
. [all data]
Javidnia, Miri, et al., 2002
Javidnia, K.; Miri, R.; Kamalinejad, M.; Nasiri, A.,
Composition of the essential oil of Salvia mirzayanii Rech. f. Esfand from Iran,
Flavour Fragr. J., 2002, 17, 6, 465-467, https://doi.org/10.1002/ffj.1128
. [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]
Rezzi, Bighelli, et al., 2001
Rezzi, S.; Bighelli, A.; Mouillot, D.; Casanova, J.,
Composition and chemical variability of the needle essential oil of Pinus nigra subsp. laricio from corsica,
Flavour Fragr. J., 2001, 16, 5, 379-383, https://doi.org/10.1002/ffj.1018
. [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]
Lazari, Skaltsa, et al., 2000
Lazari, D.M.; Skaltsa, H.D.; Constantinidis, T.,
Volatile constituents of Centaurea pelia DC., C. thessala Hausskn. subsp. drakiensis (Freyn Sint.) Georg. and C. zuccariniana DC. from Greece,
Flavour Fragr. J., 2000, 15, 1, 7-11, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<7::AID-FFJ860>3.0.CO;2-3
. [all data]
Pfeifhofer, 2000
Pfeifhofer, H.W.,
Composition of the essential oil of Pinus canariensis Sweet ex Sprengel,
Flavour Fragr. J., 2000, 15, 4, 266-270, https://doi.org/10.1002/1099-1026(200007/08)15:4<266::AID-FFJ908>3.0.CO;2-E
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, temperature ramp, References
- Symbols used in this document:
Tend Final temperature Tstart Initial temperature - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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