1(3H)-Isobenzofuranone, 3-butylidene-7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-, (3Z)-

CAS Registry Number®

240823-20-5

CAS Name

1(3H)-Isobenzofuranone, 3-butylidene-7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-, (3Z)-

Molecular Formula

C21H24O11

Molecular Mass

452.41

Cite this Page

1(3H)-Isobenzofuranone, 3-butylidene-7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-, (3Z)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=240823-20-5 (retrieved 2024-11-08) (CAS RN: 240823-20-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C21H24O11/c1-2-3-6-11-10-5-4-7-12(16(10)20(28)30-11)31-21-19(27)18(26)17(25)13(32-21)9-29-15(24)8-14(22)23/h4-7,13,17-19,21,25-27H,2-3,8-9H2,1H3,(H,22,23)/b11-6-/t13-,17-,18+,19-,21-/m1/s1

InChIKey

InChIKey=CCRZCLUIQCKUKD-GJCUZUAFSA-N

SMILES

O(C1=C2C(\C(=C\CCC)\OC2=O)=CC=C1)[C@@H]3O[C@H](COC(CC(O)=O)=O)[C@@H](O)[C@H](O)[C@H]3O

Canonical SMILES

O=C(O)CC(=O)OCC1OC(OC2=CC=CC=3C(OC(=O)C23)=CCCC)C(O)C(O)C1O

Other Names for this Substance

  • 1(3H)-Isobenzofuranone, 3-butylidene-7-[[6-O-(carboxyacetyl)-β-D-glucopyranosyl]oxy]-, (3Z)-

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