Aucubin

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Catalog Number ACM479981
CAS 479-98-1
Structure {[CurrentData.Name]}
IUPAC Name (2S,3R,4S,5S,6R)-2-[[(1S,4aR,5S,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Synonyms 6-Epiaucubin
Molecular Weight 346.33
Molecular Formula C15H22O9
Canonical SMILES C1=CO[C@H]([C@H]2[C@@H]1[C@@H](C=C2CO)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Inchi InChI=1S/C15H22O9/c16-4-6-3-8(18)7-1-2-22-14(10(6)7)24-15-13(21)12(20)11(19)9(5-17)23-15/h1-3,7-21H,4-5H2/t7-,8+,9+,10+,11+,12-,13+,14-,15-/m0/s1
InChIKey RJWJHRPNHPHBRN-FKVJWERZSA-N
Boiling Point 669.0±55.0 °C
Melting Point 181 °C
Purity 98%
Density 1.61±0.1 g/ml
Appearance White powder

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