(3aR,3bS,6S,6aR,6bS)-6-Isopropyl-3b-methyloctahydrocyclobuta[1,2:3,4]di[5]annulen-1(2H)-one
- Formula: C14H22O
- Molecular weight: 206.3239
- IUPAC Standard InChI: InChI=1S/C14H22O/c1-8(2)9-6-7-14(3)10-4-5-11(15)12(10)13(9)14/h8-10,12-13H,4-7H2,1-3H3
- IUPAC Standard InChIKey: PYUWACLOPFTHBV-UHFFFAOYSA-N
- CAS Registry Number: 13844-03-6
- 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: Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3b-methyl-6-(1-methylethyl)-, (3aR,3bS,6S,6aR,6bS)-; Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, 3,3aα,3b,4,5,6,6aβ,6bα-octahydro-6β-isopropyl-3bβ-methyl-; Cyclobuta[1,2:3,4]dicyclopenten-1(2H)-one, octahydro-3b-methyl-6-(1-methylethyl)-, [3aR-(3aα,3bβ,6β,6aβ,6bα)]-; (-)-Norbourbonone; 11-Norbourbonan-1-one; Norbourbonone; 1-nor-Bourbonanone; Bourbonanone <1-nor
- Permanent link for this species. Use this link for bookmarking this species for future reference.
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- Other data available:
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Normal alkane RI, polar column, custom temperature program
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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
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Innowax FSC | HP-Innowax FSC | HP-Innowax | HP-Innowax | Innowax FSC |
| Column length (m) | 60. | 60. | 60. | 60. | 60. |
| Carrier gas | He | He | He | He | Helium |
| 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 | 60 0C (10 min) 4 K/min -> 220 0C (10 min) 1 K/min -> 240 0C | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C | 60 0C (10 min) 4 0C/min -> 220 0C (10 min) 1 0C/min -> 240 0C |
| I | 2046. | 2046. | 2046. | 2046. | 2045. |
| Reference | Baser, Özek, et al., 2006 | Demirci, Dadandi, et al., 2003 | Baser, Demirci, et al., 2002 | Tabanca, Kirimer, et al., 2001 | Kirimer, Tabanca, et al., 1999 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary |
|---|---|
| Active phase | Innowax |
| Column length (m) | 60. |
| Carrier gas | |
| Substrate | |
| Column diameter (mm) | 0.25 |
| Phase thickness (μm) | 0.25 |
| Program | 60C(10min) => 4C/min => 220C(10min) => 1C/min => 240C |
| I | 2045. |
| Reference | Baser, Kürkcüoglu, et al., 1998 |
| Comment | 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.
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]
Demirci, Dadandi, et al., 2003
Demirci, B.; Dadandi, M.Y.; Paper, D.H.; Franz, G.; Hüsnü Can Baser, K.,
Chemical Composition of the Essential Oil of Phlomis linearis Boiss. Bal., and Biological Effects on the CAM-Assay: A Safety Evaluation,
Z. Naturforsch. C:, 2003, 58, 826-829. [all data]
Baser, Demirci, et al., 2002
Baser, K.H.C.; Demirci, B.; Kirimer, N.; Satil, F.; Tumen, G.,
The essential oils of Thymus migricus and T. fedtschenkoi var. handelii from Turkey,
Flavour Fragr. J., 2002, 17, 1, 41-45, https://doi.org/10.1002/ffj.1036
. [all data]
Tabanca, Kirimer, et al., 2001
Tabanca, N.; Kirimer, N.; Demirci, B.; Demirci, F.; Can Baser, K.H.,
Composition and antimicrobial activity of the essential oils of Micromeria cristata subsp. phrygia and the enantiomeric distribution of borneol,
J. Agric. Food Chem., 2001, 49, 9, 4300-4303, https://doi.org/10.1021/jf0105034
. [all data]
Kirimer, Tabanca, et al., 1999
Kirimer, N.; Tabanca, N.; Ozek, T.; Basher, K.H.C.; Tumen, G.,
Composition of essential oils from two endemic Sideritis species of Turkey,
Chem. Natural Comp., 1999, 35, 1, 61-64, https://doi.org/10.1007/BF02238211
. [all data]
Baser, Kürkcüoglu, et al., 1998
Baser, K.H.C.; Kürkcüoglu, M.; Aytac, Z.,
Composition of the essential oil of Salvia euphratica Montbret ex Bentham var. euphratica from Turkey,
Flavour Fragr. J., 1998, 13, 1, 63-64, https://doi.org/10.1002/(SICI)1099-1026(199801/02)13:1<63::AID-FFJ694>3.0.CO;2-Z
. [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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