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

SpectraBase Compound ID	DFpNblhdXXD
InChI	InChI=1S/C28H31N3O9S2/c1-16(32)36-15-23-24(37-17(2)33)25(38-18(3)34)26(39-19(4)35)27(40-23)42-22-12-10-21(11-13-22)30-28(41)31-29-14-20-8-6-5-7-9-20/h5-14,23-27H,15H2,1-4H3,(H2,30,31,41)/t23-,24-,25+,26-,27+/m1/s1
InChIKey	CEQJHKZUWJXMGQ-SEFGFODJSA-N Google Search
Mol Weight	617.69 g/mol
Molecular Formula	C28H31N3O9S2
Exact Mass	617.150172 g/mol

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SpectraBase Spectrum ID	CXKEiJKHFIb
Name	BENZALDEHYDE, 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	C28H31N3O9S2
InChI	InChI=1S/C28H31N3O9S2/c1-16(32)36-15-23-24(37-17(2)33)25(38-18(3)34)26(39-19(4)35)27(40-23)42-22-12-10-21(11-13-22)30-28(41)31-29-14-20-8-6-5-7-9-20/h5-14,23-27H,15H2,1-4H3,(H2,30,31,41)/t23-,24-,25+,26-,27+/m1/s1
InChIKey	CEQJHKZUWJXMGQ-SEFGFODJSA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point	184-187C
Molecular Weight	617.687988
Optical Properties	Optical Rotation= (20C) -19.2 DEG (c=4.0, CHLOROFORM)
Synonyms	GLUCOPYRANOSIDE, /P-/3-/BENZYL- IDENEAMINO/-2-THIOUREIDO/PHENYL/ 1- THIO-, TETRAACETATE, B-D-/MINUS/-, BENZALDEHYDE, 4-/P-/B-D-GLUCOPYRAN- OSYLTHIO/PHENYL/-3-THIOSEMICARBAZONE, TETRAACETATE, /MINUS/-, BENZALDEHYDE, 4-/P-/B-D-GLUCOSYL- THIO/PHENYL/-3-THIOSEMICARBAZONE, TETRAACETATE, /MINUS/-,
Technique	KBr WAFER