Secoxyloganin

CAS Registry Number®

58822-47-2
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CAS Name

Secoxyloganin

Molecular Formula

C17H24O11

Molecular Mass

404.37

Cite this Page

Secoxyloganin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=58822-47-2 (retrieved 2024-03-29) (CAS RN: 58822-47-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

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

InChIKey=MQLSOVRLZHTATK-PEYNGXJCSA-N

SMILES

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

Canonical SMILES

O=C(O)CC1C(=COC(OC2OC(CO)C(O)C(O)C2O)C1C=C)C(=O)OC

Other Names for this Substance

  • 2H-Pyran-4-acetic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, (2S,3R,4S)-
  • 2H-Pyran-4-acetic acid, 3-ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-, [2S-(2α,3β,4β)]-
  • (2S,3R,4S)-3-Ethenyl-2-(β-D-glucopyranosyloxy)-3,4-dihydro-5-(methoxycarbonyl)-2H-pyran-4-acetic acid
  • Secologanoside 11-methyl ester
  • Secoxyloganin

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