β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate

CAS Registry Number®

64291-41-4
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CAS Name

β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate

Molecular Formula

C21H26O11

Molecular Mass

454.42

Cite this Page

β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=64291-41-4 (retrieved 2024-06-24) (CAS RN: 64291-41-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    170-171 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C21H26O11/c1-11(23)27-10-17-18(28-12(2)24)19(29-13(3)25)20(30-14(4)26)21(32-17)31-16-7-5-15(9-22)6-8-16/h5-8,17-22H,9-10H2,1-4H3/t17-,18-,19+,20-,21-/m1/s1

InChIKey

InChIKey=HGUDVDQXCUHOED-YMQHIKHWSA-N

SMILES

O(C(C)=O)[C@@H]1[C@@H](OC(C)=O)[C@H](OC2=CC=C(CO)C=C2)O[C@H](COC(C)=O)[C@H]1OC(C)=O

Canonical SMILES

O=C(OCC1OC(OC2=CC=C(C=C2)CO)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C

Other Names for this Substance

  • β-D-Glucopyranoside, 4-(hydroxymethyl)phenyl, 2,3,4,6-tetraacetate
  • Acetagastrodine
  • Acetagastrodin

Deleted or Replaced CAS Registry Numbers

105054-56-6

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