Name: | A-METHYLDIGOXIN |
CAS: | 31962-94-4 |
Synonyms: | A-METHYLDIGOXIN ; METHYLDIGOXIN, A- ; ALPHA-METHYLDIGOXIN |
MDL.: | MFCD00270386 |
H bond acceptor: | 14 |
H bond donor: | 5 |
Smile: | C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)OC)O |
InChi: | InChI=1S/C42H66O14/c1-20-37(47)31(49-6)18-36(51-20)56-39-22(3)53-35(17-30(39)44)55-38-21(2)52-34(16-29(38)43)54-25-9-11-40(4)24(14-25)7-8-27-28(40)15-32(45)41(5)26(10-12-42(27,41)48)23-13-33(46)50-19-23/h13,20-22,24-32,34-39,43-45,47-48H,7-12,14-19H2,1-6H3/t20-,21-,22-,24-,25+,26-,27-,28+,29+,30+,31+,32-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m1/s1 |
InChiKey: | InChIKey=JMBCGBLJEROJPQ-PEQKVOOWSA-N |
A-METHYLDIGOXIN
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