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β-D-Glucopyranose, 4-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-thio-, 1-acetate 2,3,6-tribenzoate

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Catalog No. : NC34799

CAS No. : 92051-22-4

Product Level :

Brand : NewCan Bio

Molecular Formula : C₄₃H₄₄O₁₈S

Chemical Name : β-D-Glucopyranose, 4-S-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-4-thio-, 1-acetate 2,3,6-tribenzoate

Molecular Weight : 880.86

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Basic information

Standard English name
Cas No.	92051-22-4
Alias	(2S,3R,4S,5R,6R)-2-(((2R,3R,4R,5R,6S)-6-acetoxy-4,5-bis(benzoyloxy)-2-((benzoyloxy)methyl)tetrahydro-2H-pyran-3-yl)thio)-6-(acetoxymethyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate
Canonical Smiles	CC(=O)O[C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](O[C@@H]1COC(C)=O)S[C@H]1[C@H](OC(=O)C2C=CC=CC=2)[C@@H](OC(=O)C2C=CC=CC=2)[C@H](OC(C)=O)O[C@@H]1COC(=O)C1C=CC=CC=1
MDL No.
Exact Mass	880.22484
Smiles	O=C(OC[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](S[C@H]2[C@H](OC(C3=CC=CC=C3)=O)[C@@H](OC(C4=CC=CC=C4)=O)[C@H](OC(C)=O)O[C@@H]2COC(C5=CC=CC=C5)=O)O1)C

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Inchi	InChI=1S/C43H44O18S/c1-23(44)52-21-31-33(54-24(2)45)34(55-25(3)46)37(56-26(4)47)43(59-31)62-38-32(22-53-39(49)28-15-9-6-10-16-28)58-42(57-27(5)48)36(61-41(51)30-19-13-8-14-20-30)35(38)60-40(50)29-17-11-7-12-18-29/h6-20,31-38,42-43H,21-22H2,1-5H3/t31-,32-,33-,34+,35-,36-,37-,38-,42-,43+/m1/s1
InchiKey	OQVXAXJLZXSNSV-JIQCSDCCSA-N
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