α-Muurolene
- Formula: C15H24
- Molecular weight: 204.3511
- IUPAC Standard InChI: InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h6,9-10,13-15H,5,7-8H2,1-4H3/t13-,14+,15-/m0/s1
- IUPAC Standard InChIKey: QMAYBMKBYCGXDH-ZNMIVQPWSA-N
- CAS Registry Number: 10208-80-7
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- (1R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene
- Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aβ,8aα)]-
- Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-
- 7-epi-α-Cadinene
- Muurola-4,9-diene
- Amorphene
- epi- α-Muurolene
- Zizanene
- β-Amorphene
- Other names: Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aS,8aR)-; 1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene, (1S,4aS,8aR)-; Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4aα,8aα)]-; (-)-α-Muurolene; α-Muurolene, (-)-; B1-Cadinene; Muurolene; [1α,4aα,8aα]-1,2,4a,5,6,8a-hexahydro-4-7-dimethyl-1-[1-methylethyl]naphthalene; 1Ξ,6ξ,7ξ-Cadina-4,9-diene; 1-Isopropyl-4,7-dimethyl-1,2,4a,5,6,8a-hexahydronaphthalene; Naphthalene, 1,2,4a,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1α,4aα,8aα)-; 1R-(1α,4aα,8aα)-1,2,4a,5,6,8a-Hexahydro-4,7-dimethyl-1-isopropylnaphthalene
- Information on this page:
- Other data available:
- Options:
Kovats' RI, 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 | Supelcowax-10 | DB-Wax | Innowax | Supelcowax-10 | DB-Wax |
| Column length (m) | 30. | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.32 | 0.25 | 0.25 | |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | ||
| Tstart (C) | 40. | 40. | 40. | 40. | 40. |
| Tend (C) | 210. | 220. | 190. | 210. | 200. |
| Heat rate (K/min) | 2. | 3. | 5. | 2. | 2. |
| Initial hold (min) | 2. | 5. | 2. | 2. | |
| Final hold (min) | 33. | 5. | 120. | ||
| I | 1729. | 1707. | 1750. | 1714. | 1720. |
| Reference | Sylvestre, Pichette, et al., 2006 | Lopes, Strobl, et al., 2004 | Mahmood, Kaul, et al., 2004 | Loayza, Abujder, et al., 1995 | Umano, Hagi, et al., 1994 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M | Carbowax 20M |
| Column length (m) | 50. | 100. | 100. | 70. | 50. |
| Carrier gas | H2 | N2 | He | ||
| Substrate | |||||
| Column diameter (mm) | 0.3 | 0.28 | 0.28 | 0.28 | 0.28 |
| Phase thickness (μm) | 0.15 | ||||
| Tstart (C) | 70. | 80. | 80. | 80. | 70. |
| Tend (C) | 210. | 200. | 200. | 200. | 190. |
| Heat rate (K/min) | 2. | 3. | 3. | 2. | 2. |
| Initial hold (min) | |||||
| Final hold (min) | |||||
| I | 1685. | 1684. | 1685. | 1717. | 1715. |
| Reference | Gaydou, Randriamiharisoa, et al., 1986 | Bernhard, Shibamoto, et al., 1983 | Bernhard, Shibamoto, et al., 1983 | Yamaguchi and Shibamoto, 1981 | Tressl, Friese, et al., 1978 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' RI, 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.
Sylvestre, Pichette, et al., 2006
Sylvestre, M.; Pichette, A.; Longtin, A.; Nagau, F.; Legault, J.,
Essential oil analysis and anticancer activity of leaf essential oil of Croton flavens L. from Guadeloupe,
J. Ethnopharmacol., 2006, 103, 1, 99-102, https://doi.org/10.1016/j.jep.2005.07.011
. [all data]
Lopes, Strobl, et al., 2004
Lopes, D.; Strobl, H.; Kolodziejczyk, P.,
14-Methylpentadecano-15-lactone (Muscolide): a new macrocyclic lactone from the oil of Angelica archangelica L.,
Chemistry and Biodiversity, 2004, 1, 12, 1880-1887, https://doi.org/10.1002/cbdv.200490144
. [all data]
Mahmood, Kaul, et al., 2004
Mahmood, U.; Kaul, V.K.; Acharya, R.,
Volatile constituents of Capillipedium parviflorum,
Phytochemistry, 2004, 65, 14, 2163-2166, https://doi.org/10.1016/j.phytochem.2004.04.003
. [all data]
Loayza, Abujder, et al., 1995
Loayza, I.; Abujder, D.; Aranda, R.; Jakupovic, J.; Collin, G.; Deslauriers, H.; Jean, F.-I.,
Essential oils of Baccharis salicifolia, B. latifolia and B. dracunculifolia,
Phytochemistry, 1995, 38, 2, 381-389, https://doi.org/10.1016/0031-9422(94)00628-7
. [all data]
Umano, Hagi, et al., 1994
Umano, K.; Hagi, Y.; Tamura, T.; Shoji, A.; Shibamoto, T.,
Identification of volatile compounds isolated from round kumquat (Fortunella japonica Swingle),
J. Agric. Food Chem., 1994, 42, 9, 1888-1890, https://doi.org/10.1021/jf00045a011
. [all data]
Gaydou, Randriamiharisoa, et al., 1986
Gaydou, E.M.; Randriamiharisoa, R.; Bianchini, J.-P.,
Composition of the essential oil of ylang-ylang (Canaga odorata Hook Fil. et Thomson forma genuina) from Madagascar,
J. Agric. Food Chem., 1986, 34, 3, 481-487, https://doi.org/10.1021/jf00069a028
. [all data]
Bernhard, Shibamoto, et al., 1983
Bernhard, R.A.; Shibamoto, T.; Yamaguchi, K.; White, E.,
The volatile constituents of Schinus molle L.,
J. Agric. Food Chem., 1983, 31, 2, 463-466, https://doi.org/10.1021/jf00116a075
. [all data]
Yamaguchi and Shibamoto, 1981
Yamaguchi, K.; Shibamoto, T.,
Volatile constituents of green tea, Gyokuro (Camellia sinensis L. var Yabukita),
J. Agric. Food Chem., 1981, 29, 2, 366-370, https://doi.org/10.1021/jf00104a035
. [all data]
Tressl, Friese, et al., 1978
Tressl, R.; Friese, L.; Fendesack, F.; Köppler, H.,
Studies of the volatile composition of hops during storage,
J. Agric. Food Chem., 1978, 26, 6, 1426-1430, https://doi.org/10.1021/jf60220a036
. [all data]
Notes
Go To: Top, Kovats' RI, 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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