(1aR,4S,4aR,7R,7aS,7bS)-1,1,4,7-Tetramethyldecahydro-1H-cyclopropa[e]azulen-4-ol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-9-5-6-10-12(9)13-11(14(13,2)3)7-8-15(10,4)16/h9-13,16H,5-8H2,1-4H3/t9-,10+,11-,12-,13-,15+/m1/s1
- IUPAC Standard InChIKey: AYXPYQRXGNDJFU-IMNVLQEYSA-N
- CAS Registry Number: 88728-58-9
- 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. - Species with the same structure:
- Stereoisomers:
- Other names: Epiglobulol
- Information on this page:
- Other data available:
- Options:
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 | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | Helium | He | Helium |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.26 | 0.26 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.32 | 0.25 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 60. | 60. | 60. | 60. | 60. |
| Tend (C) | 250. | 240. | 290. | 300. | 300. |
| Heat rate (K/min) | 5. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 30. | ||||
| Final hold (min) | |||||
| I | 1585. | 1580. | 1580. | 1585. | 1564. |
| Reference | Yassa and Akhani, 2008 | Bos, Woerdenbag, et al., 2007 | Elfami, Bos, et al., 2007 | Limberger, Scopel, et al., 2007 | Moreno, Lima, et al., 2007 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 MS | HP-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 25. | 30. | 30. | 30. | 30. |
| Carrier gas | Helium | He | He | Helium | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.25 | 0.26 |
| Phase thickness (μm) | 0.25 | 0.32 | 0.25 | 0.25 | 0.25 |
| Tstart (C) | 100. | 60. | 60. | 60. | 60. |
| Tend (C) | 280. | 250. | 300. | 300. | 290. |
| Heat rate (K/min) | 4. | 5. | 3. | 3. | 3. |
| Initial hold (min) | 3. | 30. | |||
| Final hold (min) | 5. | ||||
| I | 1564. | 1585. | 1582. | 1588. | 1580. |
| Reference | Phutdhawong, Kawaree, et al., 2007 | Yassa and Akhani, 2007 | Apel, Sobral, et al., 2006 | Apel, Sobral, et al., 2006, 2 | Elfami, Komar, et al., 2006 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | HP-5 | HP-5MS | HP-1 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 50. | 30. | 30. |
| Carrier gas | He | He | He | He | |
| Substrate | |||||
| Column diameter (mm) | 0.25 | 0.25 | 0.2 | 0.25 | 0.25 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.5 | 0.25 | 0.25 |
| Tstart (C) | 50. | 50. | 60. | 60. | 60. |
| Tend (C) | 300. | 250. | 250. | 300. | 230. |
| Heat rate (K/min) | 5. | 10. | 2. | 3. | 3. |
| Initial hold (min) | 5. | 5. | 3. | ||
| Final hold (min) | 5. | 60. | |||
| I | 1597. | 1582. | 1578. | 1587. | 1580. |
| Reference | Figuérédo, Cabassu, et al., 2006 | Robinson, 2006 | Bendimerad and Bendiab, 2005 | Ferraz, Limberger, et al., 2005 | Limberger, Sobral, et al., 2005 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-5 | DB-5 |
| Column length (m) | 30. | 30. | 30. | 30. | 30. |
| Carrier gas | He | He | He | 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 |
| Tstart (C) | 40. | 60. | 60. | 60. | 60. |
| Tend (C) | 260. | 300. | 300. | 300. | 300. |
| Heat rate (K/min) | 2. | 3. | 3. | 3. | 3. |
| Initial hold (min) | 5. | ||||
| Final hold (min) | 20. | ||||
| I | 1608. | 1587. | 1588. | 1589. | 1588. |
| Reference | Senatore, Apostolides Arnold, et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Simoes-Pires C.A., Debenedetti S., et al., 2005 | Limberger, Sobral, et al., 2004 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI | MSDC-RI |
| Column type | Capillary | Capillary | Capillary | Capillary |
|---|---|---|---|---|
| Active phase | DB-5 | DB-5 | DB-5 | DB-1 |
| Column length (m) | 30. | 30. | 30. | 60. |
| Carrier gas | He | He | ||
| Substrate | ||||
| Column diameter (mm) | 0.25 | 0.25 | 0.25 | 0.32 |
| Phase thickness (μm) | 0.25 | 0.25 | 0.25 | |
| Tstart (C) | 60. | 60. | 60. | 50. |
| Tend (C) | 300. | 250. | 250. | 250. |
| Heat rate (K/min) | 3. | 3. | 3. | 4. |
| Initial hold (min) | 0.1 | |||
| Final hold (min) | 5. | |||
| I | 1581. | 1587. | 1580. | 1548. |
| Reference | Suyenaga, Apel, et al., 2004 | Limberger, Simões-Pires, et al., 2003 | Limberger, Simões-Pires, et al., 2002 | Binder and Flath, 1989 |
| Comment | MSDC-RI | MSDC-RI | MSDC-RI | 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.
Yassa and Akhani, 2008
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2008, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Bos, Woerdenbag, et al., 2007
Bos, R.; Woerdenbag, H.J.; Kayser, O.; Quax, W.J.; Ruslan, K.; Elfami,
Essential oil constituents of Piper cubeba L. fils. from Indonesia,
J. Essent. Oil Res., 2007, 19, 1, 14-17, https://doi.org/10.1080/10412905.2007.9699217
. [all data]
Elfami, Bos, et al., 2007
Elfami; Bos, R.; Ruslan, K.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential Oil Constituents of Piper cubeba from Indonesia, 2007, 53-60. [all data]
Limberger, Scopel, et al., 2007
Limberger, R.P.; Scopel, M.; Sobral, M.; Henriques, A.T.,
Comparative analysis of volatiles from Drimys brasiliensis Miers and D. angustifolia Miers (Winteraceae) from Southern Brazil,
Biochem. Syst. Ecol., 2007, 35, 3, 130-137, https://doi.org/10.1016/j.bse.2006.09.007
. [all data]
Moreno, Lima, et al., 2007
Moreno, P.R.H.; Lima, M.E.L.; Sobral, M.; Young, M.C.M.; Cordeiro, I.; Apel, M.A.A.; Limberger, R.P.; Henriques, A.T.,
Essential oil composition of fruit colour varieties of Eugenia brasiliensis Lam.,
Sci. Agr.; (Piracicaba Praz.), 2007, 64, 4, 428-432. [all data]
Phutdhawong, Kawaree, et al., 2007
Phutdhawong, W.; Kawaree, R.; Sanjaia, S.; Sengpracha, W.; Buddhasukh, D.,
Microwave-Assisted Isolation of Essential Oil of Cinnamomum iners Reinw. es Bl.: Comparison with Conventional Hydrodistillation,
Molecules, 2007, 12, 4, 868-877, https://doi.org/10.3390/12040868
. [all data]
Yassa and Akhani, 2007
Yassa, N.; Akhani, H.,
The essential oils composition in two species of the genus Eriocycla Lindl. (Apiaceae) from Iran, 2007, retrieved from http://biology.ut.ac.ir/members/akhani/PdfReprintNumber/27.pdf. [all data]
Apel, Sobral, et al., 2006
Apel, M.A.; Sobral, M.; Zuanazzi, J.A.S.; Henriques, A.T.,
Essential oil composition of four Plinia species (Myrtaceae),
Flavour Fragr. J., 2006, 21, 3, 565-567, https://doi.org/10.1002/ffj.1638
. [all data]
Apel, Sobral, et al., 2006, 2
Apel, M.A.; Sobral, M.; Zuanazzi, J.A.S.; Henriques, A.T.,
Essential oil composition of Calycorectes australis and Calycorectes psidiiflorus (Myrtaceae),
Flavour Fragr. J., 2006, 21, 4, 656-658, https://doi.org/10.1002/ffj.1640
. [all data]
Elfami, Komar, et al., 2006
Elfami, R.B.; Komar, R.; Woerdenbag, H.J.; Kayser, P.; Quax, W.J.,
Essential oil constituents of Piper cubeba from Indonesia, 2006, retrieved from http://dissertations.ub.rug.nl/FILES/facultiew/science/2006/elfahmi/05c5.pdf. [all data]
Figuérédo, Cabassu, et al., 2006
Figuérédo, G.; Cabassu, P.; Chalchat, J.-C.; Pasquier, B.,
Studies of Mediterranean oregano populations. VIII. Chemical composition of essential oils of oreganos of various origins,
Flavour Fragr. J., 2006, 21, 1, 134-139, https://doi.org/10.1002/ffj.1543
. [all data]
Robinson, 2006
Robinson, C.J.,
A new essential oil - Agonis fragrans, A report for the Rural Industries Research and Development Corporation, RIRDC Publication No. 06/090, Rural Industries Research and Development Corporation, Barton, ACT, 2006, 12. [all data]
Bendimerad and Bendiab, 2005
Bendimerad, N.; Bendiab, S.A.T.,
Composition and antibacterial activity of Pseudocytisus integrifolius (Salisb.) essential oil from Algeria,
J. Agric. Food Chem., 2005, 53, 8, 2947-2952, https://doi.org/10.1021/jf047937u
. [all data]
Ferraz, Limberger, et al., 2005
Ferraz, A.B.F.; Limberger, R.P.; Bordignon, S.A.L.; von Poser, G.L.; Henriques, A.T.,
Essential oil composition of six Hypericum species from southern Brazil,
Flavour Fragr. J., 2005, 20, 3, 335-339, https://doi.org/10.1002/ffj.1435
. [all data]
Limberger, Sobral, et al., 2005
Limberger, R.P.; Sobral, M.; Henriques, A.T.,
Intraspecific volatile oil variation in Myrceugenia cucullata (Myrtaceae),
Biochem. Syst. Ecol., 2005, 33, 3, 287-293, https://doi.org/10.1016/j.bse.2004.10.002
. [all data]
Senatore, Apostolides Arnold, et al., 2005
Senatore, F.; Apostolides Arnold, N.; Bruno, M.,
Volatile components of Centaurea eryngioides Lam. and Centaurea liberica Trev. var. hermonis Boiss. Lam., two Asteraceae growing wild in Lebanon,
Nat. Prod. Res., 2005, 19, 8, 749-754, https://doi.org/10.1080/14786410412331302136
. [all data]
Simoes-Pires C.A., Debenedetti S., et al., 2005
Simoes-Pires C.A.; Debenedetti S.; Spegazzini E.; Mentz L.A.; Matzenbacher N.I.; Limberger R.P.; Henriques A.T.,
Investigation of the essential oil from eight species of Baccharis belonging to sect. Caulopterae (Asteraceae, Astereae): a taxonomic approach,
Plant Systematics and Evolution, 2005, 253, 1-4, 23-32, https://doi.org/10.1007/s00606-005-0296-6
. [all data]
Limberger, Sobral, et al., 2004
Limberger, R.P.; Sobral, M.; Henriques, A.T.; Menut, C.; Bessière, J.-M.,
Óleos voláteis de espécies de Myrcia nativas do rio grande do sul,
Quim. Nova, 2004, 27, 6, 916-919, https://doi.org/10.1590/S0100-40422004000600015
. [all data]
Suyenaga, Apel, et al., 2004
Suyenaga, E.S.; Apel, M.A.; Chaves, C.G.; Zuanazzi, J.A.; Henriques, A.T.,
Essential oil composition of Heterothalamus psiadioides Less,
Biochem. Syst. Ecol., 2004, 32, 1, 83-86, https://doi.org/10.1016/S0305-1978(03)00190-X
. [all data]
Limberger, Simões-Pires, et al., 2003
Limberger, R.P.; Simões-Pires, C.A.; Sobral, M.; Menut, C.; Bessiere, J.-M.; Henriques, A.T.,
Essential oils of six Gomidesia spp. from southern Brazil,
Flavour Fragr. J., 2003, 18, 2, 144-147, https://doi.org/10.1002/ffj.1122
. [all data]
Limberger, Simões-Pires, et al., 2002
Limberger, R.P.; Simões-Pires, C.; Sobral, M.; Menu, C.; Bessiere, J.-M.; Henriques, A.T.,
Essential oils from some Myrceugenia species (Myrtaceae),
Flavour Fragr. J., 2002, 17, 5, 341-344, https://doi.org/10.1002/ffj.1113
. [all data]
Binder and Flath, 1989
Binder, R.G.; Flath, R.A.,
Volatile components of pineapple guava,
J. Agric. Food Chem., 1989, 37, 3, 734-736, https://doi.org/10.1021/jf00087a034
. [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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