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Substance Name: Secoxyloganin
RN: 58822-47-2
InChIKey: MQLSOVRLZHTATK-PEYNGXJCSA-N

Note

  • From Guettarda playpoda.

Molecular Formula

  • C17-H24-O11

Molecular Weight

  • 404.366
 
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Names and Synonyms

Name of Substance

  • Secoxyloganin

Synonym

  • (2S-(2alpha,3beta,4beta))-3-Ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid

Systematic Name

  • 2H-Pyran-4-acetic acid, 3-ethenyl-2-(beta-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S-(2alpha,3beta,4beta))-

Registry Numbers

CAS Registry Number

  • 58822-47-2

System Generated Number

  • 0058822472

Structure Descriptors

InChI

1S/C17H24O11/c1-3-7-8(4-11(19)20)9(15(24)25-2)6-26-16(7)28-17-14(23)13(22)12(21)10(5-18)27-17/h3,6-8,10,12-14,16-18,21-23H,1,4-5H2,2H3,(H,19,20)/t7-,8+,10-,12-,13+,14-,16+,17+/m1/s1

InChIKey

MQLSOVRLZHTATK-PEYNGXJCSA-N

Smiles

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