Raddeanoside 20

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Catalog Number ACM335354795
CAS 335354-79-5
IUPAC Name (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-6a-(hydroxymethyl)-10-[(2S,3R,4S,5S)-4-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
Molecular Weight 913.1
Molecular Formula C47H76O17
Canonical SMILES CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CCC7(C6CC(CC7)(C)C)C(=O)O)CO)C)C)OC8C(C(C(C(O8)CO)O)O)O)O)O)O)O
Inchi InChI=1S/C47H76O17/c1-22-30(50)33(53)35(55)38(60-22)64-37-32(52)26(62-39-36(56)34(54)31(51)25(19-48)61-39)20-59-40(37)63-29-11-12-44(6)27(43(29,4)5)10-13-45(7)28(44)9-8-23-24-18-42(2,3)14-15-46(24,41(57)58)16-17-47(23,45)21-49/h8,22,24-40,48-56H,9-21H2,1-7H3,(H,57,58)/t22-,24-,25+,26-,27-,28+,29-,30-,31+,32-,33+,34-,35+,36+,37+,38-,39-,40-,44-,45+,46-,47-/m0/s1
InChIKey RNHLYDFRRIHVAM-YUSSBOCDSA-N
Purity 98%
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