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Substance Name: 8-O-Acetyl shanzhiside methyl ester
RN: 57420-46-9
InChIKey: ARFRZOLTIRQFCI-NGQYDJQZSA-N

Note

  • An iridoid glucoside; from Phlomis mongolica Turcz.

Molecular Formula

  • C19-H28-O12

Molecular Weight

  • 448.418
 
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Names and Synonyms

Name of Substance

  • 8-O-Acetyl shanzhiside methyl ester

Synonyms

  • 8-O-Acetylshanzhiside methyl ester
  • Ac-Shanz-ME
  • Barlerin
  • Umbroside

Systematic Name

  • Cyclopenta(c)pyran-4-carboxylic acid, 7-(acetyloxy)-1-(beta-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-5-hydroxy-7-methyl-, methyl ester, (1S-(1alpha,4aalpha,5alpha,7alpha,7aalpha))-

Registry Numbers

CAS Registry Number

  • 57420-46-9

System Generated Number

  • 0057420469

Structure Descriptors

InChI

1S/C19H28O12/c1-7(21)31-19(2)4-9(22)11-8(16(26)27-3)6-28-17(12(11)19)30-18-15(25)14(24)13(23)10(5-20)29-18/h6,9-15,17-18,20,22-25H,4-5H2,1-3H3/t9-,10-,11+,12-,13-,14+,15-,17+,18+,19+/m1/s1

InChIKey

ARFRZOLTIRQFCI-NGQYDJQZSA-N

Smiles

C=1([C@@H]2[C@H]([C@@H](OC1)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)[C@@](C[C@H]2O)(C)OC(=O)C)C(=O)OC