(1S,3aR,4R,8R,8aS)-1-Isopropyl-3a-methyl-7-methylenedecahydro-4,8-epoxyazulene
- Formula: C15H24O
- Molecular weight: 220.3505
- IUPAC Standard InChI: InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-12)13(11)15/h9,11-14H,3,5-8H2,1-2,4H3
- IUPAC Standard InChIKey: BITBXAWCPCNKKN-UHFFFAOYSA-N
- CAS Registry Number: 88395-47-5
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 4,8-Epoxyazulene, decahydro-3a-methyl-7-methylene-1-(1-methylethyl)-, (1S,3aR,4R,8R,8aS)-; 4,8-Epoxyazulene, decahydro-3a-methyl-7-methylene-1-(1-methylethyl)-, [1S-(1α,3aα,4α,8α,8aα)]-; 1,5-Epoxysalvial-4(14)-ene; 6,10-Epoxy-7(14)-isodaucene; Mint oxide
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- Other data available:
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Normal alkane 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 | HP-5 MS | SE-52 | HP-5 MS | DB-1 |
| Column length (m) | 30. | 30. | 50. | 30. | 60. |
| Carrier gas | Hydrogen | Helium | Helium | Helium | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 70. | 70. | 60. | 60. | 60. |
| Tend (C) | 290. | 290. | 280. | 280. | 250. |
| Heat rate (K/min) | 5. | 5. | 3. | 4. | 5. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 10. | 20. | 10. | ||
| I | 1576. | 1573. | 1578. | 1564. | 1571. |
| Reference | Radulovic, Dordevic, et al., 2010 | Radulovic, Dordevic, et al., 2010, 2 | Djarri, Medjroubi, et al., 2008 | Capetanos, Saroglou, et al., 2007 | Fakhari A.R., Sonboli A., et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | HP-5 |
| Column length (m) | 30. |
| Carrier gas | He |
| Substrate | |
| Column diameter (mm) | 0.32 |
| Phase thickness (μm) | 0.25 |
| Tstart (C) | 60. |
| Tend (C) | 260. |
| Heat rate (K/min) | 5. |
| Initial hold (min) | 2. |
| Final hold (min) | 13. |
| I | 1569. |
| Reference | Yayli, Yasar, et al., 2005 |
| Comment | MSDC-RI |
References
Go To: Top, Normal alkane 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.
Radulovic, Dordevic, et al., 2010
Radulovic, N.S.; Dordevic, N.D.; Palic, R.M.,
Volatiles of Pleurospermum austriacum (L.) Hoffm. (Apiaceae),
J. Serbian Chem. Soc., 2010, 75, 12, 1-11, https://doi.org/10.2298/JSC100323127R
. [all data]
Radulovic, Dordevic, et al., 2010, 2
Radulovic, N.; Dordevic, N.; Markovic, M.; Palic, R.,
Volatile constituents of Glechoma Hirsuta Waldst. Kit. and G. Hederacea L. (Lamiaceae),
Bull. Chem. Soc. Ethiop., 2010, 24, 1, 67-76, https://doi.org/10.4314/bcse.v24i1.52962
. [all data]
Djarri, Medjroubi, et al., 2008
Djarri, L.; Medjroubi, K.; Akkai, S.; Elomri, A.; Seguin, E.; Groult, M.-L.; Verite, P.,
Variability of two essential olis of Kundmannia sicula (L.) DC., a traditional Algerian medicinal plant,
Molecules, 2008, 13, 4, 812-817, https://doi.org/10.3390/molecules13040812
. [all data]
Capetanos, Saroglou, et al., 2007
Capetanos, C.; Saroglou, V.; Marin, P.D.; Simic, A.; Skaltsa, H.D.,
Essential oil snalysis of two endemic Eringium species from Serbia,
J. Serb. Chem. Soc., 2007, 72, 10, 961-965, https://doi.org/10.2298/JSC0710961C
. [all data]
Fakhari A.R., Sonboli A., et al., 2005
Fakhari A.R.; Sonboli A.; Heydari R.,
Composition of the essential oil of Rhabdosciadium strausii from Iran,
Chem. Nat. Compd. (Engl. Transl.), 2005, 41, 4, 413-414, https://doi.org/10.1007/s10600-005-0164-1
. [all data]
Yayli, Yasar, et al., 2005
Yayli, N.; Yasar, A.; Gülec, C.; Usta, A.; Kolayli, S.; Coskuncelebi, K.; Karaoglu, S.,
Composition and antimicrobial activity of essential oils from Centaurea sessilis and Centaurea armena,
Phytochemistry, 2005, 66, 14, 1741-1745, https://doi.org/10.1016/j.phytochem.2005.04.006
. [all data]
Notes
Go To: Top, Normal alkane 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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