β-D-Glucopyranosiduronic acid, 4-formyl-2-(phenylmethoxy)phenyl, methyl ester, triacetate

CAS Registry Number®

62346-08-1

CAS Name

β-D-Glucopyranosiduronic acid, 4-formyl-2-(phenylmethoxy)phenyl, methyl ester, triacetate

Molecular Formula

C27H28O12

Molecular Mass

544.50

Cite this Page

β-D-Glucopyranosiduronic acid, 4-formyl-2-(phenylmethoxy)phenyl, methyl ester, triacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=62346-08-1 (retrieved 2024-10-06) (CAS RN: 62346-08-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C27H28O12/c1-15(29)35-22-23(36-16(2)30)25(37-17(3)31)27(39-24(22)26(32)33-4)38-20-11-10-19(13-28)12-21(20)34-14-18-8-6-5-7-9-18/h5-13,22-25,27H,14H2,1-4H3/t22-,23-,24-,25+,27+/m0/s1

InChIKey

InChIKey=SYYDMQMGUXDJAM-HDHXAKMKSA-N

SMILES

O(C(C)=O)[C@H]1[C@H](OC(C)=O)[C@@H](C(OC)=O)O[C@@H](OC2=C(OCC3=CC=CC=C3)C=C(C=O)C=C2)[C@@H]1OC(C)=O

Canonical SMILES

O=CC1=CC=C(OC2OC(C(=O)OC)C(OC(=O)C)C(OC(=O)C)C2OC(=O)C)C(OCC=3C=CC=CC3)=C1

Other Names for this Substance

  • β-D-Glucopyranosiduronic acid, 4-formyl-2-(phenylmethoxy)phenyl, methyl ester, triacetate

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