2-phenylhydracrylic acid, 6 beta, 7 beta-epoxy-1alpha H, 5 alpha H-tropan-3 alpha-yl ester, hydrochloride
Compound with spectra: 3 NMR, and 1 FTIR
| SpectraBase Compound ID | 50yDP8ZsuAf |
|---|---|
| InChI | InChI=1S/C17H21NO4.ClH/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;1H/t11-,12-,13-,14+,15-,16+;/m1./s1 |
| InChIKey | KXPXJGYSEPEXMF-MOUKNHLCSA-N |
| Mol Weight | 339.82 g/mol |
| Molecular Formula | C17H22ClNO4 |
| Exact Mass | 339.123736 g/mol |
| Parent InChIKey | STECJAGHUSJQJN-FWXGHANASA-N |
| Enantiomer InChIKey | KXPXJGYSEPEXMF-GENQDRINSA-N |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | Polysol; Reference=TMS Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
|---|---|
| Solvent | SOLID-STATE |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Catalog Number | S 166 |
| Technique | KBr WAFER |
- SCOPOLAMINE-HCL-ANHYDRATE
- 2-PHENYLHYDRACRYLIC ACID, 6beta,7beta-EPOXY-1alphaH,5alphaH-TROPAN-3alpha-YL ESTER, HYDROCHLORIDE
- 6beta,7beta-EPOXY-1alphaH,5alphaH-TROPAN-3alpha-OL, (-)TROPATE (ESTER),HYDROCHLORIDE
- HYDRACRYLIC ACID, 2-PHENYL- 6B,7B-EPOXY-1AH,5AH-TROPAN-3A-YL ESTER, HYDROCHLORIDE
- TROPAN-3A-OL, 1AH,5AH- 6B,7B-EPOXY-, 2-PHENYLHYDRACRYLATE (ESTER), HYDROCHLORIDE
STECJAGHUSJQJN-QBMZJCKTSA-N
Scopolaminium cation
Scopolamine HBr monohydrate
Scopolamine-A (-H2O)
OXITROPIUM-ARTIFACT 2
Propanoic acid, 2-methyl-, 3-(acetyloxy)-8-methyl-8-azabicyclo[3.2.1]oct-6-yl ester, (3-endo,6-exo)-(.+-.)-
3-p-fluorobenzoyloxy-6-methoxytropane
CATUABINE_I;6-BETA-HYDROXY-3-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
Nortropane-3.alpha.,7.beta.-diol 7-benzoate 3-(2'-methylpropanoate)
WDEHIFUZLRQBNS-FTJBHMTQSA-N
| Title | Journal or Book | Year |
|---|---|---|
| Conformational Pseudopolymorphism and Solid-State CPMAS NMR Studies for Determination of Solvent-Dependent Solution-State Conformational Preferences for (−)-Scopolamine Hydrobromide/Hydrochloride Salts | The Journal of Organic Chemistry | 1999 |
This compound is available in the following databases:
KnowItAll NMR Spectral Library
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