Caraganaphenol A

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Catalog Number ACM174916315
CAS 174916-31-5
IUPAC Name [(1S,2S,6S,7R)-7-(3,5-dihydroxyphenyl)-1-[(2R,3R)-3-(3,5-dihydroxyphenyl)-6-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-4-yl]-5-hydroxy-2,6-bis(4-hydroxyphenyl)-2,6,7,8-tetrahydro-1H-cyclopenta[e][1]benzofuran-8-yl]-(4-hydroxyphenyl)methanone
Molecular Weight 923.0
Molecular Formula C56H42O13
Canonical SMILES C1=CC(=CC=C1C2C(C(C3=C4C(C(OC4=CC(=C23)O)C5=CC=C(C=C5)O)C6=CC(=CC7=C6C(C(O7)C8=CC=C(C=C8)O)C9=CC(=CC(=C9)O)O)O)C(=O)C1=CC=C(C=C1)O)C1=CC(=CC(=C1)O)O)O
Inchi InChI=1S/C56H42O13/c57-32-9-1-26(2-10-32)45-46(30-17-36(61)21-37(62)18-30)53(54(67)27-3-11-33(58)12-4-27)52-50(45)42(66)25-44-51(52)49(56(69-44)29-7-15-35(60)16-8-29)41-23-40(65)24-43-48(41)47(31-19-38(63)22-39(64)20-31)55(68-43)28-5-13-34(59)14-6-28/h1-25,45-47,49,53,55-66H/t45-,46-,47-,49+,53?,55+,56-/m1/s1
InChIKey OIQYJZZWQGGEBP-MLCYKAQVSA-N
Purity 98%
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