(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, polar column, custom temperature program
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 | Innowax FSC | Innowax FSC | HP Innowax FSP | Innowax FSC | Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | Helium | Nitrogen | N2 | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 oC/min -> 240 0C | 60 0C (10 min) 1 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min >220C (10min) => 1C/min => 240C |
| I | 1945. | 1945. | 1945. | 1945. | 1945. |
| Reference | Akin, Saracoglu, et al., 2012 | Kaya, Benirci, et al., 2007 | Tabanca N., Demirci B., et al., 2007 | Baser, Özek, et al., 2006 | Baser, Özek, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | HP Innowax FSP | HP-Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | N2 | He | N2 | N2 | N2 |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1945. | 1945. | 1945. | 1945. | 1945. |
| Reference | Iscan, Kirimer, et al., 2006 | Suleimenov Y.M., Atazhanova G.A., et al., 2006 | Tunalier, Candan, et al., 2006 | Altintas, Kose, et al., 2004 | Demirci, Paper, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | HP-Innowax FSC | Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | N2 | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C (10min) => 4C/min => 220C (10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1945. | 1945. | 1945. | 1945. | 1945. |
| Reference | Kivcak, Akay, et al., 2004 | Kivcak, Akay, et al., 2004 | Demirci, Baser, et al., 2003 | Kaya, Demirci, et al., 2003 | Baser, Demirei, et al., 2002 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | Innowax | Innowax FSC |
| Column length (m) | 60. | 60. |
| Carrier gas | He | He |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 |
| Program | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10 min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 1949. | 1945. |
| Reference | Baser, Özek, et al., 2000 | Kirimer, Tabanca, et al., 2000 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Normal alkane RI, polar column, custom temperature program, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Akin, Saracoglu, et al., 2012
Akin, M.; Saracoglu, H.T.; Demirci, B.; Baser, K.H.C.,
Chemical composition and antibacterial activity of essential oils from different parts of Buplerum rotundifolium L.,
Rec. Nat. Prod., 2012, 6, 3, 316-320. [all data]
Kaya, Benirci, et al., 2007
Kaya, A.; Benirci, B.; Baser, K.H.C.,
Micromorphology of glandular trichomes of Nepeta congesta Fisch. Mey. var. congesta (LAmiaceae) and chemical analysis of the essential oils,
South African J. Botany, 2007, 73, 1, 29-34, https://doi.org/10.1016/j.sajb.2006.05.004
. [all data]
Tabanca N., Demirci B., et al., 2007
Tabanca N.; Demirci B.; Crockett S.L.; Baser K.H.C.; Wedge D.E.,
Chemical composition and antifungal activity of Arnica longifolia, Aster hesperius, and Chrysothamnus nauseosus essential oils,
J. Agric. Food Chem., 2007, 55, 21, 8430-8435, https://doi.org/10.1021/jf071379c
. [all data]
Baser, Özek, et al., 2006
Baser, K.H.C.; Özek, G.; Özek, T.; Duran, A.; Duman, H.,
Composition of the essential oils of Rhabdosciadium oligocarpum (Post ex Boiss.) Hedge et Lamond and Rhabdosciadium microcalycinum Hand.-Mazz.,
Flavour Fragr. J., 2006, 21, 4, 650-655, https://doi.org/10.1002/ffj.1639
. [all data]
Iscan, Kirimer, et al., 2006
Iscan, G.; Kirimer, N.; Kurkcuoglu, M.; Arabaci, T.; Kupeli, E.; Baser, K.H.C.,
Biological Activity and Composition of the Essential Oils of Achillea schischkinii Sosn. and Achillea aleppica DC. subsp. aleppica,
J. Agric. Food Chem., 2006, 54, 1, 170-173, https://doi.org/10.1021/jf051644z
. [all data]
Suleimenov Y.M., Atazhanova G.A., et al., 2006
Suleimenov Y.M.; Atazhanova G.A.; Ozek T.; Demirci B.; Kulyyasov A.T.; Adekenov S.M.; Baser K.H.C.,
Essential oil composition of three species of Achillea from Kazakhstan,
Chem. Nat. Compd. (Engl. Transl.), 2006, 37, 5, 447-450, https://doi.org/10.1023/A:1014471326724
. [all data]
Tunalier, Candan, et al., 2006
Tunalier, Z.; Candan, N.T.; Demirci, B.; Baser, K.H.,
The essential oil composition of Acroptilon repens (L.) DC. of Turkish origin,
Flavour Fragr. J., 2006, 21, 3, 462-464, https://doi.org/10.1002/ffj.1670
. [all data]
Altintas, Kose, et al., 2004
Altintas, A.; Kose, Y.B.; Yucel, E.; Demirci, B.; Baser, K.H.C.,
Composition of the essential oil of Centaurea dichroa,
Chem. Nat. Compd. (Engl. Transl.), 2004, 40, 6, 604-605, https://doi.org/10.1007/s10600-005-0051-9
. [all data]
Demirci, Paper, et al., 2004
Demirci, F.; Paper, D.H.; Demirci, F.; Hüsnü Can Baser, K.; Franz, G.,
Essential oil of Betula pendula Roth. buds,
eCAM, 2004, 1, 3, 301-303. [all data]
Kivcak, Akay, et al., 2004
Kivcak, B.; Akay, S.; Demirci, B.; Baser, K.H.C.,
Chemical composition of essential oils from leaves and twigs of Pistacia lentiscus, Pistacia lentiscus var. chia, and Pistacia terebinthus from Turkey,
Pharm. Biol, 2004, 42, 4-5, 360-366, https://doi.org/10.1080/13880200490519677
. [all data]
Demirci, Baser, et al., 2003
Demirci, B.; Baser, K.H.C.; Yildiz, B.; Bahcecioglu, Z.,
Composition of the essential oils of six endemic Salvia spp. from Turkey,
Flavour Fragr. J., 2003, 18, 2, 116-121, https://doi.org/10.1002/ffj.1173
. [all data]
Kaya, Demirci, et al., 2003
Kaya, A.; Demirci, B.; Baser, K.H.C.,
The essential oil of Seseli tortuosum L. growing in Turkey,
Flavour Fragr. J., 2003, 18, 2, 159-161, https://doi.org/10.1002/ffj.1162
. [all data]
Baser, Demirei, et al., 2002
Baser, K.H.C.; Demirei, B.; Özek, T.; Akalin, E.; Özhatay, N.,
Micro-distilled volatile compounds from Ferulago species growing in Western Turkey,
Pharm. Biol., 2002, 40, 6, 466-471, https://doi.org/10.1076/phbi.40.6.466.8439
. [all data]
Baser, Özek, et al., 2000
Baser, K.H.C.; Özek, T.; Demirci, B.; Duman, H.,
Composition of the essential oil of Prangos heyniae H. Duman et M. F. Watson, a new endemic from Turkey,
Flavour Fragr. J., 2000, 15, 1, 47-49, https://doi.org/10.1002/(SICI)1099-1026(200001/02)15:1<47::AID-FFJ869>3.0.CO;2-9
. [all data]
Kirimer, Tabanca, et al., 2000
Kirimer, N.; Tabanca, N.; Özek, T.; Tümen, G.; Baser, K.H.C.,
Essential oils of annual Sideritis species growing in Turkey,
Pharm. Biol., 2000, 38, 2, 106-111, https://doi.org/10.1076/1388-0209(200004)3821-1FT106
. [all data]
Notes
Go To: Top, Normal alkane RI, polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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