| CAS Number | 133393-81-4 |
| Catalog Number | AG009IGC(AGN-PC-0PJZNT) |
| Chemical Name | (2R,3R,4S,5R,6R)-5-Acetoxy-6-(3,4-dihydroxyphenethoxy)-4-(((2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-2-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-3-yl (E)-3-(3,4-dihydroxyphenyl)acrylate |
| IUPAC Name | [(2R,3R,4S,5R,6R)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)ethoxy]-4-[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChI | InChI=1S/C37H48O20/c1-15-26(44)28(46)30(48)35(52-15)51-14-24-32(56-25(43)9-6-18-4-7-20(39)22(41)12-18)33(57-36-31(49)29(47)27(45)16(2)53-36)34(54-17(3)38)37(55-24)50-11-10-19-5-8-21(40)23(42)13-19/h4-9,12-13,15-16,24,26-37,39-42,44-49H,10-11,14H2,1-3H3/b9-6+/t15-,16-,24+,26-,27-,28+,29+,30+,31+,32+,33-,34+,35+,36-,37+/m0/s1 |
| InChI Key | RIHCCESRYIALPG-LQTIFAKJSA-N |
| MDL Number | MFCD31726179 |
| Molecular Formula | C37H48O20 |
| Molecular Weight | 812.7650 |
| SMILES | OC=1C=C(C=CC1O)/C=C/C(=O)O[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C)OC(C)=O)OCCC1=CC(=C(C=C1)O)O)CO[C@@H]1O[C@H]([C@@H]([C@H]([C@H]1O)O)O)C |
| Synonyms | (beta-(3',4'-dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside,
2'-O-acetylpoliumoside,
brandioside,
Brandioside,
2'-O-Acetylpoliumoside,
133393-81-4,
CID11765904,
(beta-(3',4'-Dihydroxyphenyl)ethyl)-(2-O-acetyl)-(3,6-O-di-alpha-L-rhamnopyransoyl)-(4-O-caffeoyl)-beta-D-glucopyranoside,
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