Specioside

CAS Registry Number®

72514-90-0
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CAS Name

Specioside

Molecular Formula

C24H28O12

Molecular Mass

508.47

Cite this Page

Specioside.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=72514-90-0 (retrieved 2024-04-28) (CAS RN: 72514-90-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28O12/c25-9-14-17(29)18(30)19(31)23(33-14)35-22-16-13(7-8-32-22)20(21-24(16,10-26)36-21)34-15(28)6-3-11-1-4-12(27)5-2-11/h1-8,13-14,16-23,25-27,29-31H,9-10H2/b6-3+/t13-,14-,16-,17-,18+,19-,20+,21+,22+,23+,24-/m1/s1

InChIKey

InChIKey=SKNVKBJSSSJNCI-UIBFFPKISA-N

SMILES

C(O)[C@@]12[C@@](O1)([C@@H](OC(/C=C/C3=CC=C(O)C=C3)=O)[C@]4([C@@]2([C@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)OC=C4)[H])[H])[H]

Canonical SMILES

O=C(OC1C2OC2(CO)C3C(OC=CC13)OC4OC(CO)C(O)C(O)C4O)C=CC5=CC=C(O)C=C5

Other Names for this Substance

  • β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, [1aS-[1aα,1bβ,2β,5aβ,6β(E),6aα]]-
  • β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl
  • (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-Hexahydro-1a-(hydroxymethyl)-6-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl β-D-glucopyranoside
  • Specioside

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