![Chemical structure of 2-(3,4-Dihydroxyphenyl)ethyl 3-O,6-O-bis(α-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranoside, CAS 94079-81-9](https://api.angenesci.com/structure/2891/94079-81-9.png)
| CAS Number | 94079-81-9 |
| Catalog Number | AG00GU5N(AGN-PC-0W3OUS) |
| Chemical Name | 2-(3,4-Dihydroxyphenyl)ethyl 3-O,6-O-bis(α-L-rhamnopyranosyl)-4-O-[(E)-3-(3,4-dihydroxyphenyl)propenoyl]-β-D-glucopyranoside |
| IUPAC Name | [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-2-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| 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+ |
| InChI Key | YMWRMAOPKNYHMZ-VMPITWQZSA-N |
| MDL Number | MFCD23160017 |
| Molecular Formula | C35H46O19 |
| Molecular Weight | 770.7283 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCc3ccc(c(c3)O)O)O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O)OC(=O)/C=C/c5ccc(c(c5)O)O)O)O)O |
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