Paniculoside Iii

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Catalog Number ACM60129659
CAS 60129-65-9
IUPAC Name [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1R,4S,5R,9R,10S,11S,13S)-11-hydroxy-5,9-dimethyl-14-methylidene-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
Molecular Weight 494.58
Molecular Formula C26H38O9
Canonical SMILES CC12CCCC(C1CCC34C2C(CC(C3)C(=C)C4=O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O
Inchi InChI=1S/C26H38O9/c1-12-13-9-14(28)20-24(2)6-4-7-25(3,16(24)5-8-26(20,10-13)21(12)32)23(33)35-22-19(31)18(30)17(29)15(11-27)34-22/h13-20,22,27-31H,1,4-11H2,2-3H3/t13-,14+,15-,16+,17-,18+,19-,20+,22+,24-,25-,26-/m1/s1
InChIKey JSKLOHJUYDOADP-DQGZFUNPSA-N
Purity 98%
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