Isolongifolol
- Formula: C15H26O
- Molecular weight: 222.3663
- IUPAC Standard InChI: InChI=1S/C15H26O/c1-14(2)7-4-8-15(3)11-6-5-10(13(11)14)12(15)9-16/h10-13,16H,4-9H2,1-3H3
- IUPAC Standard InChIKey: VZJHQHUOVIDRCF-UHFFFAOYSA-N
- CAS Registry Number: 1139-17-9
- Chemical structure:
This structure is also available as a 2d Mol file - Stereoisomers:
- Other names: 1,4-Methanoazulene-9-methanol, decahydro-4,8,8-trimethyl-, [1S-(1α,3aβ,4α,8aβ,9R*)]-; (-)-Isolongifolol; (4,8,8-Trimethyldecahydro-1,4-methanoazulen-9-yl)methanol; Longi-β-camphenyl alcohol; 3-Isolongifolol; iso-Langifolol; [1S-(1α,3aβ,4α,8aβ,9R*)]-decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-methanol
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Mass spectrum (electron ionization)
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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
Spectrum
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Additional Data
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| Owner | NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | NIST Mass Spectrometry Data Center |
| NIST MS number | 333039 |
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 | VF-5MS | 1781.2 | Tret'yakov, 2007 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 1695. | Cavar, Maksimovic, et al., 2010 | 30. m/0.252 mm/0.25 μm, Helium, 3. K/min; Tstart: 60. C; Tend: 240. C |
| Capillary | DB-1 | 1712. | Khanavi, Ghasemian, et al., 2005 | 30. m/0.25 mm/0.25 μm, He, 50. C @ 1. min, 2.5 K/min, 265. C @ 20. min |
References
Go To: Top, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Tret'yakov, 2007
Tret'yakov, K.V.,
Retention Data. NIST Mass Spectrometry Data Center., NIST Mass Spectrometry Data Center, 2007. [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]
Khanavi, Ghasemian, et al., 2005
Khanavi, M.; Ghasemian, L.; Motlagh, E.H.; Hadjiakhoondi, A.; Shafiee, A.,
Chemical composition of the essential oils of Marrubium parviflorum Fisch. C.A. Mey. and Marrubium vulgare L. from Iran,
Flavour Fragr. J., 2005, 20, 3, 324-326, https://doi.org/10.1002/ffj.1425
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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