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SCOPOLAMIN
SpectraBase Compound ID CnTjNTwHxWw
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+
InChIKey STECJAGHUSJQJN-SDODBCEQSA-N
Mol Weight 303.36 g/mol
Molecular Formula C17H21NO4
Exact Mass 303.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3luauRtA6mw
Name Benzeneacetic acid, .alpha.-(hydroxymethyl)-, 9-methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]non-7-yl ester, [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-
CAS Registry Number 51-34-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO4
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+
InChIKey STECJAGHUSJQJN-SDODBCEQSA-N
Molecular Weight 303.358 g/mol
SMILES OCC(C(O[C@]1(C[C@@]2(N(C)[C@@]([C@@]3([C@]2(O3)[H])[H])(C1)[H])[H])[H])=O)c1ccccc1
SPLASH splash10-0f76-8901000000-c1fef478230198396404
Source of Spectrum JZ-1992-872-0
Synonyms (-)-Hyoscine (-)-Scopolamine 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 6.beta.,7.beta.-epoxy-, (-)-tropate (ester) 3-Oxa-9-azatricyclo(3.3.1.0(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester) 3-Oxa-9-azatricyclo(3.3.1.o(sup 2,4))nonan-7-ol, 9-methyl-, tropate (ester) 6,7-Epoxytropine tropate 6-.beta.,7-.beta.-Epoxy-3-.alpha.-tropanyl S-(-)-tropate 6.beta.,7.beta.-Epoxy-1.alpha.H,5.alpha.H-tropan-3.alpha.-ol (-)-tropate (ester) 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0(2,4)]nonan-7-ol (-)-tropate 9-Methyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]non-7-yl tropate Atrochin Atroquin Epoxytropine tropate Hyosceine Hyosol Isopto hyoscine l-Scopolamine Oscine S-(-)-Tropate Scop Scopine (-)-tropate Scopoderm-TTS SEE Skopolamin Transcop Transderm-Scop Tropane alkaloid Tropic acid, 9-methyl-3-oxa-9-azatricyclo(3.3.1.0(sup 2,4))non-7-yl ester Tropic acid, ester with scopine [7(S)-(1.alpha.,2.beta.,4.beta.,5.alpha.,7.beta.)]-.alpha.-(hydroxymethyl)benzeneacetic acid 9-methyl-3-oxa-9-azatricyclo-[3.3.1.0^2,4]non-7-yl ester EINECS 200-090-3 HSDB 4074
Wiley ID 1305635