Paederoside

CAS Registry Number®

20547-45-9
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CAS Name

Paederoside

Molecular Formula

C18H22O11S

Molecular Mass

446.43

Cite this Page

Paederoside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=20547-45-9 (retrieved 2024-06-26) (CAS RN: 20547-45-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3/t8-,9+,10+,11-,12+,13-,14+,16-,17-/m0/s1

InChIKey

InChIKey=OJISWUQNQQWEND-FCVLBCLDSA-N

SMILES

O([C@H]1[C@]2([C@@]3([C@](C=C2COC(SC)=O)(OC(=O)C3=CO1)[H])[H])[H])[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O

Canonical SMILES

O=C(OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32)SC

Other Names for this Substance

  • Carbonothioic acid, O-[[(2aS,4aS,5S,7bS)-5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ester
  • Pederoside
  • Carbonothioic acid, O-[[5-(β-D-glucopyranosyloxy)-2a,4a,5,7b-tetrahydro-1-oxo-1H-2,6-dioxacyclopent[cd]inden-4-yl]methyl] S-methyl ester, [2aS-(2aα,4aα,5α,7bα)]-
  • 1H-2,6-Dioxacyclopent[cd]indene, carbonothioic acid deriv.
  • Paederoside

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Deleted or Replaced CAS Registry Numbers

27745-19-3