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

SpectraBase Compound ID	7aUepIeWE9K
InChI	InChI=1S/C30H33N3O9S2/c1-18(34)38-17-24-26(39-19(2)35)27(40-20(3)36)28(41-21(4)37)29(42-24)44-25-15-9-8-14-23(25)32-30(43)33-31-16-10-13-22-11-6-5-7-12-22/h5-16,24,26-29H,17H2,1-4H3,(H2,32,33,43)/t24-,26-,27+,28-,29+/m1/s1
InChIKey	QBCLXNGZCJLVTH-RIAYOEEMSA-N Google Search
Mol Weight	643.7 g/mol
Molecular Formula	C30H33N3O9S2
Exact Mass	643.165822 g/mol

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SpectraBase Spectrum ID	KqmgBQXRMrC
Name	CINNAMALDEHYDE, 4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZONE, TETRAACETATE
Source of Sample	G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H33N3O9S2
InChI	InChI=1S/C30H33N3O9S2/c1-18(34)38-17-24-26(39-19(2)35)27(40-20(3)36)28(41-21(4)37)29(42-24)44-25-15-9-8-14-23(25)32-30(43)33-31-16-10-13-22-11-6-5-7-12-22/h5-16,24,26-29H,17H2,1-4H3,(H2,32,33,43)/t24-,26-,27+,28-,29+/m1/s1
InChIKey	QBCLXNGZCJLVTH-RIAYOEEMSA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point	166-168C
Molecular Weight	643.726013
Optical Properties	Optical Rotation= (20C) -32.3 DEG (c=4.0, CHLOROFORM)
Synonyms	CINNAMALDEHYDE, 4-/O-/B-D-GLUCOSYL- THIO/PHENYL/-3-THIOSEMICARBAZONE, TETRAACETATE, /MINUS/-,
Technique	KBr WAFER