Platycoside A

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Catalog Number ACM209404002
CAS 209404-00-2
IUPAC Name [(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (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-carboxylate
Molecular Weight 1255.4
Molecular Formula C58H94O29
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC(=O)C34CCC(CC3C5=CCC6C(C5(CC4O)C)(CCC7C6(CC(C(C7(CO)CO)OC8C(C(C(C(O8)CO)O)OC9C(C(C(C(O9)CO)O)O)O)O)O)C)C)(C)C)O)O)O)O)OC1C(C(C(CO1)O)O)O
Inchi InChI=1S/C58H94O29/c1-22-43(83-47-39(73)33(67)26(64)18-78-47)38(72)41(75)48(80-22)85-45-34(68)27(65)19-79-51(45)87-52(77)58-12-11-53(2,3)13-24(58)23-7-8-30-54(4)14-25(63)46(57(20-61,21-62)31(54)9-10-55(30,5)56(23,6)15-32(58)66)86-50-42(76)44(36(70)29(17-60)82-50)84-49-40(74)37(71)35(69)28(16-59)81-49/h7,22,24-51,59-76H,8-21H2,1-6H3/t22-,24-,25-,26+,27-,28+,29+,30+,31+,32+,33-,34-,35+,36+,37-,38-,39+,40+,41+,42+,43-,44-,45+,46-,47-,48-,49-,50-,51-,54+,55+,56+,58+/m0/s1
InChIKey WHADRFMYRLBVAJ-BCXQWGEVSA-N
Purity 98%
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