6beta,7beta-epoxy-1alphaH,5alphaH-tropan-3alpha-ol, (-)-tropate (ester), hydrobromide, trihydrate

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 Google Search
Mol Weight	438.31 g/mol
Molecular Formula	C17H28BrNO7
Exact Mass	437.104915 g/mol

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SpectraBase Spectrum ID	EVKyG61k00J
Name	SCOPOLAMINE, HYDROBROMIDE, TRIHYDRATE
Source of Sample	Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C17H28BrNO7
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
Melting Point	191-194C
Molecular Weight	438.321014
Optical Properties	Optical Rotation= (20C) -24 TO -26 DEG (c=2.5, WATER)
Synonyms	SCOPOLAMINE, HYDROBROMIDE, TRI- HYDRATE ATROSCINE, HYDROBROMIDE, TRIHYDRATE HYOSCINE, HYDROBROMIDE, TRIHYDRATE
Technique	KBr WAFER