4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZIDE, TETRAACETATE

SpectraBase Compound ID	CpagNpXFqXT
InChI	InChI=1S/C21H27N3O9S2/c1-10(25)29-9-15-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-15)35-16-8-6-5-7-14(16)23-21(34)24-22/h5-8,15,17-20H,9,22H2,1-4H3,(H2,23,24,34)/t15-,17-,18+,19-,20+/m1/s1
InChIKey	SVWHQWLMQBAJIY-PKOFMYQESA-N Google Search
Mol Weight	529.58 g/mol
Molecular Formula	C21H27N3O9S2
Exact Mass	529.118872 g/mol

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SpectraBase Spectrum ID	FVshQRfyOa4
Name	4-[o-(beta-D-GLUCOSYLTHIO)PHENYL]-3-THIOSEMICARBAZIDE, TETRAACETATE
Source of Sample	G. Wagner, Karl-Marx University, Leipzig, Germany
Copyright	Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C21H27N3O9S2
InChI	InChI=1S/C21H27N3O9S2/c1-10(25)29-9-15-17(30-11(2)26)18(31-12(3)27)19(32-13(4)28)20(33-15)35-16-8-6-5-7-14(16)23-21(34)24-22/h5-8,15,17-20H,9,22H2,1-4H3,(H2,23,24,34)/t15-,17-,18+,19-,20+/m1/s1
InChIKey	SVWHQWLMQBAJIY-PKOFMYQESA-N
Literature Reference	Abstract-Chemical Abstracts= 60, 4239(1964)
Melting Point	167-170C
Molecular Weight	529.578979
Optical Properties	Optical Rotation= (20C) 16.4 DEG (c=4.0, CHLOROFORM)
Synonyms	GLUCOPYRANOSIDE, /O-/3-AMINO-2- THIOUREIDO/PHENYL/ 1-THIO-, TETRA- ACETATE /ESTER/, B-D-/PLUS/-, SEMICARBAZIDE, 4-/O-/B-D-GLUCO- PYRANOSYLTHIO/PHENYL/-3-THIO-, 2PR,- 3PR,4PR,6PR-TETRAACETATE, /PLUS/-, SEMICARBAZIDE, 4-/O-/B-D-GLUCOSYL- THIO/PHENYL/-3-THIO-, 2PR,3PR,4PR,6PR- TETRAACETATE, /PLUS/-,
Technique	KBr WAFER