CAS Registry Number®
27409-30-9
CAS Name
Picroside I
Molecular Formula
C24H28O11
Molecular Mass
492.47
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
