(1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid

CAS Registry Number®

36138-58-6
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CAS Name

(1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid

Molecular Formula

C25H28O13

Molecular Mass

536.48

Cite this Page

(1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=36138-58-6 (retrieved 2024-08-16) (CAS RN: 36138-58-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H28O13/c26-9-16-19(29)20(30)21(31)24(37-16)38-23-18-14(15(10-35-23)22(32)33)7-8-25(18,34)11-36-17(28)6-3-12-1-4-13(27)5-2-12/h1-8,10,14,16,18-21,23-24,26-27,29-31,34H,9,11H2,(H,32,33)/b6-3+/t14-,16-,18-,19-,20+,21-,23+,24+,25+/m1/s1

InChIKey

InChIKey=WJPRKOJNQIZCGY-OZOLURDPSA-N

SMILES

O([C@H]1[C@]2([C@@](C(C(O)=O)=CO1)(C=C[C@@]2(COC(/C=C/C3=CC=C(O)C=C3)=O)O)[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1C=CC3(O)COC(=O)C=CC4=CC=C(O)C=C4

Other Names for this Substance

  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]-, (1S,4aS,7R,7aS)-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]-, [1S-[1α,4aα,7β,7(E),7aα]]-
  • Cyclopenta[c]pyran-4-carboxylic acid, 1-(β-D-glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]methyl]-, (1S,4aS,7R,7aS)-
  • (1S,4aS,7R,7aS)-1-(β-D-Glucopyranosyloxy)-1,4a,7,7a-tetrahydro-7-hydroxy-7-[[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]methyl]cyclopenta[c]pyran-4-carboxylic acid
  • Vaccinoside

Deleted or Replaced CAS Registry Numbers

1580547-27-8