vanillin, 4-[p-(beta-D-glucosylthio)phenyl]-3-thiosemicarbazone, tetraacetate

SpectraBase Compound ID	JrdSgyoQ6oI
InChI	InChI=1S/C29H33N3O11S2/c1-15(33)39-14-24-25(40-16(2)34)26(41-17(3)35)27(42-18(4)36)28(43-24)45-21-9-7-20(8-10-21)31-29(44)32-30-13-19-6-11-22(37)23(12-19)38-5/h6-13,24-28,37H,14H2,1-5H3,(H2,31,32,44)/t24-,25-,26+,27-,28+/m1/s1
InChIKey	RZZWAPQKOWVPDE-DFLSAPQXSA-N Google Search
Mol Weight	663.7 g/mol
Molecular Formula	C29H33N3O11S2
Exact Mass	663.155651 g/mol

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SpectraBase Spectrum ID	UOcWJVD8xA
Name	VANILLIN, 4-[p-(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	C29H33N3O11S2
InChI	InChI=1S/C29H33N3O11S2/c1-15(33)39-14-24-25(40-16(2)34)26(41-17(3)35)27(42-18(4)36)28(43-24)45-21-9-7-20(8-10-21)31-29(44)32-30-13-19-6-11-22(37)23(12-19)38-5/h6-13,24-28,37H,14H2,1-5H3,(H2,31,32,44)/t24-,25-,26+,27-,28+/m1/s1
InChIKey	RZZWAPQKOWVPDE-DFLSAPQXSA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point	178-180C
Molecular Weight	663.713013
Optical Properties	Optical Rotation= (20C) -11.7 DEG (c=2.0, CHLOROFORM)
Synonyms	- VANILLIN, 4-/P-/B-D-GLUCOPYRANOSYL- THIO/PHENYL/-3-THIOSEMICARBAZONE, 2,- 3,4,6,-TETRAACETATE, /MINUS/-, - VANILLIN, 4-/P-/B-D-GLUCOSYLTHIO/- PHENYL/-3-THIOSEMICARBAZONE, 2,3,- 4,6,-TETRAACETATE, /MINUS/-, GLUCOPYRANOSIDE, /P-/3-/VANILLI- DENEAMINO/-2-THIOUREIDO/PHENYL/ 1- THIO-, 2,3,4,6-TETRAACETATE, B-D- /MINUS/-,
Technique	KBr WAFER