
| CAS Number | 487-41-2 |
| Catalog Number | AG00DECK(AGN-PC-0S0L1W) |
| Chemical Name | Phillyrin |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[4-[(3R,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-3-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| InChI | InChI=1S/C27H34O11/c1-32-18-7-4-13(8-20(18)34-3)25-16-11-36-26(17(16)12-35-25)15-6-5-14(9-19(15)33-2)37-27-24(31)23(30)22(29)21(10-28)38-27/h4-9,16-17,21-31H,10-12H2,1-3H3/t16-,17-,21+,22+,23-,24+,25-,26+,27+/m0/s1 |
| InChI Key | ZTIZEXUIEBLYBL-ISZFVDQSSA-N |
| MDL Number | MFCD29505477 |
| Molecular Formula | C27H34O11 |
| Molecular Weight | 534.5523 |
| SMILES | COC1=C(C=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1)[C@@H]3[C@]4([H])[C@@](CO3)([H])[C@H](C5=CC=C(OC)C(OC)=C5)OC4 |
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