α-D-Cellobiose octaacetate

CAS Registry Number®

5346-90-7
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CAS Name

α-D-Cellobiose octaacetate

Molecular Formula

C28H38O19

Molecular Mass

678.59

Cite this Page

α-D-Cellobiose octaacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=5346-90-7 (retrieved 2024-04-27) (CAS RN: 5346-90-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    226 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C28H38O19/c1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33/h19-28H,9-10H2,1-8H3/t19-,20-,21-,22-,23+,24+,25-,26-,27+,28+/m1/s1

InChIKey

InChIKey=WOTQVEKSRLZRSX-AXXYRMHMSA-N

SMILES

O([C@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)O[C@@H]1COC(C)=O)[C@H]2[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O2

Canonical SMILES

O=C(OCC1OC(OC2C(OC(OC(=O)C)C(OC(=O)C)C2OC(=O)C)COC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • α-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, 1,2,3,6-tetraacetate
  • Cellobiose, octaacetate, α-D-
  • α-D-Glucopyranose, 4-O-(2,3,4,6-tetra-O-acetyl-β-D-glucopyranosyl)-, tetraacetate
  • Octaacetyl-α-cellobiose
  • Octa-O-acetyl-α-D-cellobiose

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Deleted or Replaced CAS Registry Numbers

69947-99-5, 886202-76-2

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