6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol, (-)-tropate (ester), hydrobromide, trihydrate
Compound with spectra: 3 NMR, and 1 FTIR
| SpectraBase Compound ID | 6eCiOw0QB6x |
|---|---|
| InChI | InChI=1S/C17H21NO4.BrH.3H2O/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;3*1H2/t11-,12-,13-,14+,15-,16+;;;;/m1..../s1 |
| InChIKey | LACQPOBCQQPVIT-SEYKEWMNSA-N |
| Mol Weight | 438.31 g/mol |
| Molecular Formula | C17H28BrNO7 |
| Exact Mass | 437.104915 g/mol |
| Parent InChIKey | QDAYRXORHSNPAO-XQNAJQIDSA-N |
| Enantiomer InChIKey | LACQPOBCQQPVIT-IIPXDQNVSA-N |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Tokyo Kasei Kogyo Company, Ltd., Tokyo, Japan |
| Solvent | Deuterium oxide; Reference=Dioxane Spectrometer= Varian CFT-20 |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | D2O |
| Copyright | Copyright © 2009-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Solvent | Polysol |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
|---|---|
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Technique | KBr WAFER |
- 6 beta,7beta-epoxy-1alpha H-tropan-3 alpha-ol, (-)-tropate(ester), hydrobromide, trihydrate
- SCOPOLAMINE, HYDROBROMIDE, TRIHYDRATE
- ATROSCINE, HYDROBROMIDE, TRIHYDRATE
- HYOSCINE, HYDROBROMIDE, TRIHYDRATE
Scopolamine HBr monohydrate
HYOSCIN-HYDROBROMID,(SCOPOLAMIN)
2-phenylhydracrylic acid, 6 beta, 7 beta-epoxy-1alpha H, 5 alpha H-tropan-3 alpha-yl ester, hydrochloride
Scopolaminium cation
STECJAGHUSJQJN-QBMZJCKTSA-N
Scopolamine-A (-H2O)
Scopolamine -H2O @
OXITROPIUM-ARTIFACT 2
3-Hydroxy-6-(2-methylbutyryloxy)tropane
CATUABINE_I;6-BETA-HYDROXY-3-ALPHA-[(1-METHYL-1-H-PYRROL-2-YL)-CARBANOYL]-TROPANE
This compound is available in the following databases:
KnowItAll NMR Spectral Library
Author: Wiley
The KnowItAll NMR Spectral Library offers a comprehensive collection of NMR reference spectra, including NMR, CNMR, and XNMR, and covers a wide range of compounds including organics, polymers, monomers, metabolites, and more. Learn more.
KnowItAll IR, Raman, and UV-Vis Spectral Libraries
Author: Wiley
The KnowItAll IR, Raman, and UV-Vis spectral libraries offer access to the world's largest collection of IR, Raman, and UV-Vis spectra, including the renowned Sadtler spectra. The libraries include a wide range of compounds from pure organics to industrial compounds. Learn more.