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3,4-Di-O-caffeoyl quinic acid methyl ester

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Category Respiratory syncytial Virus (RSV)
CAS 114637-83-1
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Product Information

Synonyms 114637-83-1;3,4-Di-O-caffeoylquinic acid methyl ester;CHEMBL464371;methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate;3,4-Di-O-caffeoyl quinic acid methyl ester;HY-N8448;BDBM50455381;AKOS040761060;FS-7143;DA-69871;1ST168459;CS-0144262;3,4-Di-O-caffeoylquinic methyl ester3,4-Di-O-caffeoyl quinic acid methyl ester; methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate;
IUPAC Name methyl (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylate
Molecular Weight 580.6
Molecular Formula C34H28O9
Canonical SMILES CC1=CC(=O)C2=C(C3=C(C=CC=C3O)C(=C2C1C(=O)C)C4=C5C(C(CC(=O)C5=C(C6=C4C=CC=C6O)O)(C)O)C(=O)C)O
InChI InChI=1S/C26H26O12/c1-36-25(34)26(35)12-20(31)24(38-23(33)9-5-15-3-7-17(28)19(30)11-15)21(13-26)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h2-11,20-21,24,27-31,35H,12-13H2,1H3/b8-4+,9-5+/t20-,21-,24-,26+/m1/s1
InChIKey PKJBSZTYNDRXEQ-VOHNXBSUSA-N
Storage Please store the product under the recommended conditions in the Certificate of Analysis.

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