cinnamaldehyde, 4-[o-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone

SpectraBase Compound ID	JHGTbZ3sU1i
InChI	InChI=1S/C22H25N3O5S2/c26-13-16-18(27)19(28)20(29)21(30-16)32-17-11-5-4-10-15(17)24-22(31)25-23-12-6-9-14-7-2-1-3-8-14/h1-12,16,18-21,26-29H,13H2,(H2,24,25,31)/t16-,18-,19+,20-,21+/m1/s1
InChIKey	SLFQDXJPPBGMDZ-RQXATKFSSA-N Google Search
Mol Weight	475.58 g/mol
Molecular Formula	C22H25N3O5S2
Exact Mass	475.123563 g/mol

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SpectraBase Spectrum ID	1wAQAOsaxSB
Name	CINNAMALDEHYDE, 4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZONE
Source of Sample	G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C22H25N3O5S2
InChI	InChI=1S/C22H25N3O5S2/c26-13-16-18(27)19(28)20(29)21(30-16)32-17-11-5-4-10-15(17)24-22(31)25-23-12-6-9-14-7-2-1-3-8-14/h1-12,16,18-21,26-29H,13H2,(H2,24,25,31)/t16-,18-,19+,20-,21+/m1/s1
InChIKey	SLFQDXJPPBGMDZ-RQXATKFSSA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4239(1964)
Molecular Weight	475.578003
Optical Properties	Optical Rotation= (20C) -24.8 DEG (c=1.0, DMF)
Synonyms	GLUCOPYRANOSIDE, /O-/3-/CINNAMYL- IDENEAMINO/-2-THIOUREIDO/PHENYL/ 1- THIO-, B-D-/MINUS/-, CINNAMALDEHYDE, 4-/O-/B-D-GLUCO- PYRANOSYLTHIO/PHENYL/-3-THIOSEMICARB- AZONE, /MINUS/-, CINNAMALDEHYDE, 4-/O-/B-D-GLUCOSYL- THIO/PHENYL/-3-THIOSEMICARBAZONE, /MINUS/-,
Technique	KBr WAFER