3'-Methoxymirificin

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Catalog Number ACM1297609290
Product Name 3'-Methoxymirificin
CAS Number 1297609-29-0
IUPAC Name 8-[(2S,3R,4R,5S,6R)-6-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
Molecular Weight 578.5
Molecular Formula C27H30O14
Canonical SMILES COC1=C(C=CC(=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3)O)C4C(C(C(C(O4)COC5C(C(CO5)(CO)O)O)O)O)O)O
Inchi InChI=1S/C27H30O14/c1-37-17-6-11(2-4-13(17)29)16-7-15(31)12-3-5-14(30)19(23(12)40-16)24-22(34)21(33)20(32)18(41-24)8-38-26-25(35)27(36,9-28)10-39-26/h2-7,18,20-22,24-26,28-30,32-36H,8-10H2,1H3/t18-,20-,21+,22-,24+,25+,26-,27-/m1/s1
InChIKey PBJNFLDMFZTUMU-RYKANLFKSA-N
Purity 98%
Appearance Powder

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