(3aR,4R,7R)-1,4,9,9-Tetramethyl-3,4,5,6,7,8-hexahydro-2H-3a,7-methanoazulen-2-one
- Formula: C15H22O
- Molecular weight: 218.3346
- IUPAC Standard InChI: InChI=1S/C15H22O/c1-9-5-6-11-7-12-10(2)13(16)8-15(9,12)14(11,3)4/h9,11H,5-8H2,1-4H3/t9-,11-,15+/m0/s1
- IUPAC Standard InChIKey: GIGKXOAUYMWORB-CCUNJIBTSA-N
- CAS Registry Number: 3466-15-7
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, (3aR,4R,7R)-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7,8-tetrahydro-1,4,9,9-tetramethyl-, [3aR-(3aα,4β,7α)]-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7α,8-tetrahydro-1,4α,9,9-tetramethyl-; 3H-3a,7-Methanoazulen-2(4H)-one, 5,6,7α,8-tetrahydro-1,4α,9,9-tetramethyl-, (+)-; (+)-Cyperotundone; Cyperenone; Cyperotundone; Isopatchoulenone
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Gas Chromatography
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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
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5MS | 1717.6 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1680. | Feizbakhsh and Naeemy, 2011 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 20. min, 4. K/min, 220. C @ 20. min |
| Capillary | CP-Sil 5 CB | 1685. | Olawore, Usman, et al., 2006 | 25. m/0.25 mm/0.15 μm, Hydrogen, 3. K/min; Tstart: 50. C; Tend: 230. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 MS | 1680. | Feizbakhsh and Naeemy, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
| Capillary | HP-5 MS | 1694. | Feizbakhsh and Naeemy, 2011 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
References
Go To: Top, Gas Chromatography, 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]
Feizbakhsh and Naeemy, 2011
Feizbakhsh, A.; Naeemy, A.,
Volatile constituents of essential oils of Eleocharis pauciflora (Light) Link and Eleocharis uniglumis (Link) J.A. Schultes growing wild in Iran,
Bull. Chem. Soc. Ethiop., 2011, 25, 3, 461-464, https://doi.org/10.4314/bcse.v25i3.68606
. [all data]
Olawore, Usman, et al., 2006
Olawore, N.O.; Usman, L.A.; Ogunwande, I.A.; Adeleke, K.A.,
Constituents of rhizome essential oils of two types of Cyperus articulatus L. grown in Nigeria,
J. Essent Oil Res., 2006, 18, 6, 604-606, https://doi.org/10.1080/10412905.2006.9699179
. [all data]
Notes
Go To: Top, Gas Chromatography, References
- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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