Platycoside K

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Catalog Number ACM899447644
CAS 899447-64-4
IUPAC Name (4aR,5R,6aR,6aS,6bR,8aR,10R,11S,12aR,14bS)-10-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-5,11-dihydroxy-9,9-bis(hydroxymethyl)-2,2,6a,6b,12a-pentamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight 845.0
Molecular Formula C42H68O17
Canonical SMILES CC1(CCC2(C(C1)C3=CCC4C(C3(CC2O)C)(CCC5C4(CC(C(C5(CO)CO)OC6C(C(C(C(O6)CO)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)C)C)C(=O)O)C
Inchi InChI=1S/C42H68O17/c1-37(2)10-11-42(36(54)55)20(12-37)19-6-7-24-38(3)13-21(47)33(41(17-45,18-46)25(38)8-9-39(24,4)40(19,5)14-26(42)48)59-35-31(53)32(28(50)23(16-44)57-35)58-34-30(52)29(51)27(49)22(15-43)56-34/h6,20-35,43-53H,7-18H2,1-5H3,(H,54,55)/t20-,21-,22+,23+,24+,25+,26+,27+,28+,29-,30+,31+,32-,33-,34-,35-,38+,39+,40+,42+/m0/s1
InChIKey OGWPDZNUKDWXIN-XSFIBOHJSA-N
Purity 98%
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