$250.00
| CAS No.: | 2252345-81-4 |
| Molecular Formula | C₄₂H₄₈O₂₂ |
| Molecular Weight | 904.8g/mol |
| Purity | HPLC>98% |
| Chemical Family | Flavonoids |
| Weight |
|---|
IUPAC Name: [(2R,3S,4S,5R,6S)-6-[6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)propanoate
InChI: InChI=1S/C42H48O22/c1-57-23-10-16(2-8-19(23)45)3-9-28(48)58-15-27-33(51)35(53)38(56)42(63-27)62-25-12-24-29(20(46)11-22(60-24)17-4-6-18(44)7-5-17)34(52)30(25)39-40(36(54)32(50)26(13-43)61-39)64-41-37(55)31(49)21(47)14-59-41/h2,4-8,10-12,21,26-27,31-33,35-45,47,49-56H,3,9,13-15H2,1H3/t21-,26+,27+,31-,32+,33+,35-,36-,37+,38+,39-,40+,41-,42+/m0/s1
InChIKey: CIVMKCGGDCNCEA-XSTIHWQGSA-N
Canonical SMILES: COC1=C(C=CC(=C1)CCC(=O)OCC2C(C(C(C(O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)C6C(C(C(C(O6)CO)O)O)OC7C(C(C(CO7)O)O)O)O)O)O)O
Isomeric SMILES: COC1=C(C=CC(=C1)CCC(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)O)O)[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O)O)O)O)O)O
Synonyms: Vaccarin E; 2252345-81-4; HY-N5148; AKOS040763443; FS-8347; DA-68517; CS-0032697; E88768; …
Botanical Source:
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