CAS Registry Number®
94079-81-9
CAS Name
Poliumoside
Molecular Formula
C35H46O19
Molecular Mass
770.73
Other Names and Identifiers
InChI
InChI=1S/C35H46O19/c1-14-24(41)26(43)28(45)33(50-14)49-13-22-31(53-23(40)8-5-16-3-6-18(36)20(38)11-16)32(54-35-29(46)27(44)25(42)15(2)51-35)30(47)34(52-22)48-10-9-17-4-7-19(37)21(39)12-17/h3-8,11-12,14-15,22,24-39,41-47H,9-10,13H2,1-2H3/b8-5+/t14-,15-,22+,24-,25-,26+,27+,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1
InChIKey
InChIKey=YMWRMAOPKNYHMZ-LLVTZOIGSA-N
SMILES
O(C(/C=C/C1=CC(O)=C(O)C=C1)=O)[C@H]2[C@H](O[C@H]3[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O3)[C@@H](O)[C@H](OCCC4=CC(O)=C(O)C=C4)O[C@@H]2CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5
Canonical SMILES
O=C(OC1C(OC(OCCC2=CC=C(O)C(O)=C2)C(O)C1OC3OC(C)C(O)C(O)C3O)COC4OC(C)C(O)C(O)C4O)C=CC5=CC=C(O)C(O)=C5
Other Names for this Substance
- β-D-Glucopyranoside, 2-(3,4-dihydroxyphenyl)ethyl O-6-deoxy-α-L-mannopyranosyl-(1→3)-O-[6-deoxy-α-L-mannopyranosyl-(1→6)]-, 4-[(2E)-3-(3,4-dihydroxyphenyl)-2-propenoate]
- Poliumoside
Deleted or Replaced CAS Registry Numbers
133444-49-2
