Quercetin, 5TMS derivative
- Formula: C30H50O7Si5
- Molecular weight: 663.1413
- IUPAC Standard InChI: InChI=1S/C30H50O7Si5/c1-38(2,3)33-22-19-25-27(26(20-22)36-41(10,11)12)28(31)30(37-42(13,14)15)29(32-25)21-16-17-23(34-39(4,5)6)24(18-21)35-40(7,8)9/h16-20H,1-15H3
- IUPAC Standard InChIKey: VISLTJDFZRIFEA-UHFFFAOYSA-N
- CAS Registry Number: 4067-66-7
- 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:
- Other names: 4H-1-Benzopyran-4-one, 2-[3,4-bis[(trimethylsilyl)oxy]phenyl]-3,5,7-tris[(trimethylsilyl)oxy]-; Flavone, 3,3',4',5,7-pentahydroxy, TMS; Quercetin, (5TMS); Flavone, 3,3',4',5,7-pentakis(trimethylsiloxy)-; Quercetin, TMS; Quercetin, penta-TMS
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- Other data available:
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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
Kovats' RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | DB-1 | 280. | 3219.7 | Stremple, 1996 | 30. m/0.25 mm/0.25 μm, H2 |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-5MS | 3174.6 | Jonsson, Johansson, et al., 2005 | 10. m/0.18 mm/0.18 μm, 70. C @ 2. min, 40. K/min, 320. C @ 2. min |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | HP-5 | 3171. | Zenkevich, Eshchenko, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium, 30. C @ 5. min, 7. K/min, 300. C @ 20. min |
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.
Stremple, 1996
Stremple, P.,
Improved separation and identification of aglycon flavonoids by gas chromatography on phenylmethylsilicone copolymers,
J. Hi. Res. Chromatogr., 1996, 19, 10, 581-584, https://doi.org/10.1002/jhrc.1240191010
. [all data]
Jonsson, Johansson, et al., 2005
Jonsson, P.; Johansson, A.I.; Gullberg, J.; Trygg, J.; Jiye, A.; Grung, B.; Marklund, S.; Sjöström, M.; Antti, H.; Moritz, T.,
High-throughput data analysis for detecting and identifying differences between samples in GC/MS-based metabolomic analyses,
Anal. Chem., 2005, 77, 17, 5635-5642, https://doi.org/10.1021/ac050601e
. [all data]
Zenkevich, Eshchenko, et al., 2007
Zenkevich, I.G.; Eshchenko, A.Yu.; Makarova, S.V.; Vitenberg, A.G.; Dobryakov, Yu.G.; Utsal, V.A.,
Identification of the products of oxidation of quercetin by air oxygen at ambient temperature,
Molecules, 2007, 12, 3, 654-672, https://doi.org/10.3390/12030654
. [all data]
Notes
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- Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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