Scopolamine
- Formula: C17H21NO4
- Molecular weight: 303.3529
- IUPAC Standard InChI: InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11-,12?,13?,14?,15-,16+
- IUPAC Standard InChIKey: STECJAGHUSJQJN-MBBCWDQXSA-N
- CAS Registry Number: 51-34-3
- 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: Benzeneacetic acid, α-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1α,2β,4β,5α,7β)]-; 1αH,5αH-Tropan-3α-ol, 6β,7β-epoxy-, (-)-tropate (ester); (-)-Hyoscine; Atrochin; Atroquin; Hyosceine; Hyoscine; Scopine tropate; Skopolamin; SEE; 6,7-Epoxytropine tropate; 6-β,7-β-Epoxy-3-α-tropanyl S-(-)-tropate; Epoxytropine tropate; Hyosol; Oscine; 3-Oxa-9-azatricyclo(3.3.1.O(2,4))nonan-7-ol, 9-methyl-, tropate; Tropic acid, ester with scopine; Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.O(2,4))non-7-yl ester; 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate; l-Scopolamine; Transderm-Scop; 6β,7β-Epoxy-1αH,5αH-tropan-3α-ol (-)-tropate (ester); Scop; Scopoderm-TTS; Transcop; (-)-Scopolamine; Scopine (-)-tropate; 14797-94-5; 97991-84-9; 226562-00-1; 28901-63-5; 65319-33-7; 58670-87-4
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Kovats' 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 |
|---|---|---|
| Active phase | HP-5MS | SE-30 |
| Column length (m) | 30. | 25. |
| Carrier gas | He | |
| Substrate | ||
| Column diameter (mm) | 0.25 | 0.49 |
| Phase thickness (μm) | 0.25 | 1.14 |
| Tstart (C) | 50. | 100. |
| Tend (C) | 300. | 275. |
| Heat rate (K/min) | 4. | 8. |
| Initial hold (min) | 2. | |
| Final hold (min) | 10. | 15. |
| I | 2263. | 2310. |
| Reference | Doncheva, Berkov, et al., 2006 | Schepers, Wijsbeek, et al., 1982 |
| Comment | MSDC-RI | MSDC-RI |
References
Go To: Top, Kovats' 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.
Doncheva, Berkov, et al., 2006
Doncheva, T.; Berkov, S.; Philipov, S.,
Comparative study of the alkaloids in tribe Datureae and their chemosystematic significance,
Biochem. Syst. Ecol., 2006, 34, 6, 478-488, https://doi.org/10.1016/j.bse.2006.01.008
. [all data]
Schepers, Wijsbeek, et al., 1982
Schepers, P.; Wijsbeek, J.; Franke, J.P.; de Zeeuw, R.A.,
Applicability of capillary gas chromatography to substance identification in toxicology by means of retention indices,
J. Forensic Sci., 1982, 27, 1, 49-60. [all data]
Notes
Go To: Top, Kovats' 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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