| CAS Number | 108648-07-3 |
| Catalog Number | AG008YUC(AGN-PC-0OYPG4) |
| Chemical Name | Purpureaside C |
| IUPAC Name | [(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| InChI | InChI=1S/C35H46O20/c1-14-24(42)26(44)29(47)35(51-14)55-32-30(48)34(49-9-8-16-3-6-18(38)20(40)11-16)53-22(13-50-33-28(46)27(45)25(43)21(12-36)52-33)31(32)54-23(41)7-4-15-2-5-17(37)19(39)10-15/h2-7,10-11,14,21-22,24-40,42-48H,8-9,12-13H2,1H3/b7-4+/t14-,21+,22+,24-,25-,26+,27-,28+,29+,30+,31+,32+,33+,34+,35-/m0/s1 |
| InChI Key | FSBUXLDOLNLABB-HSCIEKESSA-N |
| MDL Number | MFCD31630736 |
| Molecular Formula | C35H46O20 |
| Molecular Weight | 786.7277 |
| SMILES | O([C@@H]1[C@@H](CO[C@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](CO)O2)O[C@@H](OCCC2C=CC(O)=C(O)C=2)[C@H](O)[C@H]1O[C@]1([H])O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=O)/C=C/C1C=CC(O)=C(O)C=1 |
| Synonyms | Purpureaside C,
108648-07-3,
C10488,
CHEBI:8644,
DTXSID00474626,
HY-N4148,
AKOS030631737,
CS-0032235,
[(2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxymethyl]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-tetrahydropyran-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate,
Echinacoside,
ACN-047116,
CID11953944,
|