Picroside I

CAS Registry Number®

27409-30-9
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CAS Name

Picroside I

Molecular Formula

C24H28O11

Molecular Mass

492.47

Cite this Page

Picroside I.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=27409-30-9 (retrieved 2024-04-27) (CAS RN: 27409-30-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H28O11/c25-11-24-16-13(17(27)21(24)35-24)8-9-31-22(16)34-23-20(30)19(29)18(28)14(33-23)10-32-15(26)7-6-12-4-2-1-3-5-12/h1-9,13-14,16-23,25,27-30H,10-11H2/b7-6+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1

InChIKey

InChIKey=XZGPUOQGERGURE-LUVHZPKESA-N

SMILES

C(O)[C@@]12[C@@](O1)([C@@H](O)[C@]3([C@@]2([C@H](O[C@@H]4O[C@H](COC(/C=C/C5=CC=CC=C5)=O)[C@@H](O)[C@H](O)[C@H]4O)OC=C3)[H])[H])[H]

Canonical SMILES

O=C(OCC1OC(OC2OC=CC3C(O)C4OC4(CO)C23)C(O)C(O)C1O)C=CC=5C=CC=CC5

Other Names for this Substance

  • β-D-Glucopyranoside, (1aS,1bS,2S,5aR,6S,6aS)-1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 6-[(2E)-3-phenyl-2-propenoate]
  • Picroside I
  • β-D-Glucopyranoside, 1a,1b,2,5a,6,6a-hexahydro-6-hydroxy-1a-(hydroxymethyl)oxireno[4,5]cyclopenta[1,2-c]pyran-2-yl, 6-(3-phenyl-2-propenoate), [1aS-[1aα,1bβ,2β(E),5aβ,6β,6aα]]-
  • 6′-Cinnamoylcatalpol

Deleted or Replaced CAS Registry Numbers

31200-45-0

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