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| CAS No.: | 96382-90-0 |
| Molecular Formula | C₂₅H₃₀O₁₅ |
| Molecular Weight | 570.5g/mol |
| Purity | HPLC>98% |
| Chemical Family | Iridoids |
IUPAC Name: (2E)-2-[4-[2-[2-(3,4-dihydroxyphenyl)ethoxy]-2-oxoethyl]-5-methoxycarbonyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-ylidene]acetic acid
InChI: InChI=1S/C25H30O15/c1-36-23(35)14-10-38-24(40-25-22(34)21(33)20(32)17(9-26)39-25)13(7-18(29)30)12(14)8-19(31)37-5-4-11-2-3-15(27)16(28)6-11/h2-3,6-7,10,12,17,20-22,24-28,32-34H,4-5,8-9H2,1H3,(H,29,30)/b13-7+/t12?,17-,20-,21+,22-,24?,25+/m1/s1
InChIKey: XJDJODWHDUVAGF-HITGIGKYSA-N
Canonical SMILES: COC(=O)C1=COC(C(=CC(=O)O)C1CC(=O)OCCC2=CC(=C(C=C2)O)O)OC3C(C(C(C(O3)CO)O)O)O
Isomeric SMILES: COC(=O)C1=COC(/C(=C/C(=O)O)/C1CC(=O)OCCC2=CC(=C(C=C2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Synonyms: Oleuropeinic acid; 96382-90-0; (E)-2-((2S,4S)-4-(2-(3,4-Dihydroxyphenethoxy)-2-oxoethyl)-5-(methoxycarbonyl)-2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-2H-pyran-3(4H)-ylidene)acetic acid; HY-N6875; MS-30303; CS-0100463; E87121
Botanical Source: Ligustrum lucidum Ait.
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