Epicubenol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-10(2)13-6-5-12(4)15(16)8-7-11(3)9-14(13)15/h9-10,12-14,16H,5-8H2,1-4H3
- IUPAC Standard InChIKey: COGPRPSWSKLKTF-UHFFFAOYSA-N
- CAS Registry Number: 19912-67-5
- Chemical structure:
This structure is also available as a 2d Mol file - Species with the same structure:
- Stereoisomers:
- Other names: (1S,4R,4aS,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-4a-ol; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4R,4aS,8aR)-; 1β,10βH-Cadin-4-en-1-ol; 4a(2H)-Naphthalenol, 1,3,4,5,6,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1α,4β,4aα,8aα)]-; 1-epi-Cubenol; epi-Cubenol-1; Cubenol (1-epi); epi-α-Cubenol
- Information on this page:
- Other data available:
- Options:
Van Den Dool and Kratz RI, non-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 | HP-5MS | DB-5 | SE-52 | CBP-5 | CP Sil 8 CB |
| Column length (m) | 30. | 30. | 30. | 30. | 50. |
| Carrier gas | He | He | He | He | He |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.32 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.15 | 0.25 | |
| Program | 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) | 40C(2min) => 4C/min => 220C => 20C/min => 280C | 45C => 1C/min => 100C => 5C/min => 250C(10min) | 60C => 3C/min => 240C => 10C/min => 280C(10min) | 60C (2min) => 5C/min => 160C (1min) => 10C/min => 250C (2min) |
| I | 1623.5 | 1632. | 1629. | 1628. | 1627. |
| Reference | Andriamaharavo, 2014 | Andrade, Sampaio, et al., 2007 | Bruni, Pellati, et al., 2005 | Oliveira, Campos, et al., 2005 | Mockute and Judzentiene, 2003 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary |
|---|---|---|
| Active phase | CBP-5 | SE-52 |
| Column length (m) | 50. | 25. |
| Carrier gas | He | H2 |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.40 |
| Program | 60C(2min) => 3C/min => 240C => 10C/min => 280C(10min) | 60 0C (8 min) 3 K/min -> 180 0C 20 K/min -> 250 0C (10 min) |
| I | 1621. | 1630. |
| Reference | Azevedo, Campos, et al., 2002 | Lorenzo, Dellacassa, et al., 2001 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Van Den Dool and Kratz RI, non-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.
Andriamaharavo, 2014
Andriamaharavo, N.R.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2014. [all data]
Andrade, Sampaio, et al., 2007
Andrade, M.S.; Sampaio, T.S.; Nogueira, P.C.L.; Ribeiro, A.S.; Bittrich, V.; Amaral, M.C.E.,
Volatile compounds of the leaves, flowers and fruits of Kielmeyera rugosa Choisy (Clusiaceae),
Flavour Fragr. J., 2007, 22, 1, 49-52, https://doi.org/10.1002/ffj.1751
. [all data]
Bruni, Pellati, et al., 2005
Bruni, R.; Pellati, F.; Grazia Bellardi, M.; Benvenuti, S.; Paltrinieri, S.; Bertaccini, A.; Bianchi, A.,
Herbal drug quality and phytochemical composition of Hypericum perforatum L. affected by ash yellows phytoplasma infection,
J. Agric. Food Chem., 2005, 53, 4, 964-968, https://doi.org/10.1021/jf0487654
. [all data]
Oliveira, Campos, et al., 2005
Oliveira, M.J.; Campos, I.F.P.; Oliveira, C.B.A.; Santos, M.R.; Souza, P.S.; Santos, S.C.; Seraphin, J.C.; Ferri, P.H.,
Influence of growth phase on the essential oil composition of Hyptis suaveolens,
Biochem. Syst. Ecol., 2005, 33, 3, 275-285, https://doi.org/10.1016/j.bse.2004.10.001
. [all data]
Mockute and Judzentiene, 2003
Mockute, D.; Judzentiene, A.,
Variability of the essential oils composition of Achillea millefolium ssp. millefolium growing wild in Lithuania,
Biochem. Syst. Ecol., 2003, 31, 9, 1033-1045, https://doi.org/10.1016/S0305-1978(03)00066-8
. [all data]
Azevedo, Campos, et al., 2002
Azevedo, N.R.; Campos, I.F.P.; Ferreira, H.D.; Portes, T.A.; Seraphin, J.C.; de Paula, J.R.; Santos, S.C.; Ferri, P.H.,
Essential oil chemotypes in Hyptis suaveolens from Brazilian Cerrado,
Biochem. Syst. Ecol., 2002, 30, 3, 205-216, https://doi.org/10.1016/S0305-1978(01)00075-8
. [all data]
Lorenzo, Dellacassa, et al., 2001
Lorenzo, D.; Dellacassa, E.; Bonaccorsi, I.; Mondello, L.,
Uruguayan essential oils. Composition of leaf oil of Myrcianthes cisplatensis (Camb.) Berg. ('Guayabo colorado') (Myrtaceae),
Flavour Fragr. J., 2001, 16, 2, 97-99, https://doi.org/10.1002/1099-1026(200103/04)16:2<97::AID-FFJ952>3.0.CO;2-C
. [all data]
Notes
Go To: Top, Van Den Dool and Kratz RI, non-polar column, custom temperature program, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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