4-Methylumbelliferyl N,N′,N′′-triacetyl-β-chitotrioside

CAS Registry Number®

53643-13-3
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CAS Name

4-Methylumbelliferyl N,N′,N′′-triacetyl-β-chitotrioside

Molecular Formula

C34H47N3O18

Molecular Mass

785.75

Cite this Page

4-Methylumbelliferyl N,N′,N′′-triacetyl-β-chitotrioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=53643-13-3 (retrieved 2024-04-19) (CAS RN: 53643-13-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33+,34+/m1/s1

InChIKey

InChIKey=BNYGKUQXGBVTRE-JFWBNMEYSA-N

SMILES

O([C@H]1[C@H](NC(C)=O)[C@@H](O)[C@H](O[C@H]2[C@H](NC(C)=O)[C@@H](O)[C@H](O)[C@@H](CO)O2)[C@@H](CO)O1)[C@@H]3[C@@H](CO)O[C@@H](OC=4C=C5C(=CC4)C(C)=CC(=O)O5)[C@H](NC(C)=O)[C@H]3O

Canonical SMILES

O=C1OC=2C=C(OC3OC(CO)C(OC4OC(CO)C(OC5OC(CO)C(O)C(O)C5NC(=O)C)C(O)C4NC(=O)C)C(O)C3NC(=O)C)C=CC2C(=C1)C

Other Names for this Substance

  • 2H-1-Benzopyran-2-one, 7-[[O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-
  • 7-[[O-2-(Acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-O-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl-(1→4)-2-(acetylamino)-2-deoxy-β-D-glucopyranosyl]oxy]-4-methyl-2H-1-benzopyran-2-one
  • 4-Methylumbelliferyl tri-N-acetyl-β-chitotrioside
  • 4-Methylumbelliferyl N,N′,N′′-triacetyl-β-chitotrioside

Deleted or Replaced CAS Registry Numbers

444311-04-0, 697758-63-7

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