For research use only. Not for therapeutic Use.
| Catalog Number | M113018 |
| CAS Number | 137551-42-9 |
| Synonyms | deutzicoside B |
| Molecular Formula | C47H76O17 |
| Purity | ≥95% |
| Storage | Store at RT |
| IUPAC Name | (4aR,5R,6aR,6aS,6bR,10S,12aR,14bR)-5-hydroxy-10-[(2S,3R,4S,5S)-5-hydroxy-4-[(2R,3R,4S,5R,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-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI | InChI=1S/C47H76O17/c1-21-30(51)32(53)34(55)38(60-21)64-37-36(63-39-35(56)33(54)31(52)25(19-48)61-39)24(49)20-59-40(37)62-29-12-13-44(6)26(43(29,4)5)11-14-45(7)27(44)10-9-22-23-17-42(2,3)15-16-47(23,41(57)58)28(50)18-46(22,45)8/h9,21,23-40,48-56H,10-20H2,1-8H3,(H,57,58)/t21-,23+,24-,25+,26?,27+,28+,29-,30-,31-,32+,33-,34+,35+,36-,37+,38-,39+,40-,44-,45+,46+,47+/m0/s1 |
| InChIKey | KIGBZBGUCRFANQ-IEBUKCNUSA-N |
| SMILES | CC1C(C(C(C(O1)OC2C(C(COC2OC3CCC4(C(C3(C)C)CCC5(C4CC=C6C5(CC(C7(C6CC(CC7)(C)C)C(=O)O)O)C)C)C)O)OC8C(C(C(C(O8)CO)O)O)O)O)O)O |
