Basic Information |
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Product Name: | 18ALPHA-DIAMMONIUM GLYCYRRHIZINATE |
CAS: | 79165-06-3 |
English Synonyms: | 18A-DIAMMONIUM GLYCYRRHIZINATE ; DIAMMONIUM GLYCYRRHIZINATE ; 18ALPHA-DIAMMONIUM GLYCYRRHIZINATE |
MDL Number.: | MFCD09038726 |
H bond acceptor: | 16 |
H bond donor: | 8 |
Smile: | CC1([C@@H]2CC[C@@]3([C@@H]([C@]2(CC[C@@H]1O[C@@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)C(=O)O)O)O)O)C)C(=O)C=C6[C@]3(CC[C@@]7([C@@H]6C[C@@](CC7)(C)C(=O)O)C)C)C)C.N.N |
InChi: | InChI=1S/C42H62O16.2H3N/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);2*1H3/t19-,21+,22+,23+,24+,25+,26+,27-,28+,29+,30-,31-,34+,35+,38-,39+,40+,41-,42-;;/m1../s1 |
InChiKey: | InChIKey=SPPIIOPGDLITJE-DOAZJTLJSA-N |
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