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Substance Name: Sibirate
RN: 152338-47-1
InChIKey: DTJLOZXIIDPIFA-OUOAPTIVSA-N

Note

  • Isolated from Sibiraea angustata.

Molecular Formula

  • C16-H22-O9

Molecular Weight

  • 358.3408
 
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Names and Synonyms

Name of Substance

  • Sibirate

Synonym

  • Glucityl ferulate

Systematic Names

  • D-Glucitol, 1-((2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoate)
  • D-Glucitol, 1-(3-(4-hydroxy-3-methoxyphenyl)-2-propenoate), (E)-

Registry Numbers

CAS Registry Number

  • 152338-47-1

System Generated Number

  • 0152338471

Structure Descriptors

InChI

1S/C16H22O9/c1-24-13-6-9(2-4-10(13)18)3-5-14(21)25-8-12(20)16(23)15(22)11(19)7-17/h2-6,11-12,15-20,22-23H,7-8H2,1H3/b5-3+/t11-,12+,15-,16-/m1/s1

InChIKey

DTJLOZXIIDPIFA-OUOAPTIVSA-N

Smiles

COc1cc(ccc1O)/C=C/C(=O)OC[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O