1(2H)-Naphthalenone, octahydro-4a,8a-dimethyl-7-(1-methylethyl)-, [4aR-(4aα,7β,8aα)]-
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3
- IUPAC Standard InChIKey: HDVXJTYHXDVWQO-UHFFFAOYSA-N
- CAS Registry Number: 1803-39-0
- 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: 1(2H)-Naphthalenone, octahydro-7α-isopropyl-4aβ,8aβ-dimethyl-, (+)-; Jatamansone, (+)-; Valeranone, (+)-; (+)-Valeranone; (4aS,7R,8aR)-7-Isopropyl-4a,8a-dimethyloctahydronaphthalen-1(2H)-one; 7-Isopropyl-4a,8a-dimethyloctahydro-1(2H)-naphthalenone; 17414-58-3; Valeranone
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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 | 1684.8 | 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 | 1669. | Cavar, Maksimovic, et al., 2010 | 30. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | SPB-1 | 1669. | Lazarevic, Palic, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 50. C @ 3. min, 5. K/min, 250. C @ 15. min |
References
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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]
Cavar, Maksimovic, et al., 2010
Cavar, S.; Maksimovic, M.; Solic, M.E.,
Comparison of essential oil composition of Stachys menthufolia Vis. from two natural habitas in Croatia,
Biologica Nyssana, 2010, 1, 1-2, 99-103. [all data]
Lazarevic, Palic, et al., 2010
Lazarevic, J.S.; Palic, R.V.M.; Radulovic, N.S.; Ristic, N.R.; Stojanovic, G.S.,
Chemical composition and screening of the antimicrobial and antioxidative acrivity of extracts of Stachys species,
J. Serb. Chem. Soc., 2010, 75, 10, 1347-1359, https://doi.org/10.2298/JSC100601117L
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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