DIGOXIN, TERAACETATE

pro_cas
29701-13-1
pro_cdbregno
CCD00247894
pro_formula
C49 H72 O18
pro_molWeight
949.09

basic_info

Product_Name: DIGOXIN, TERAACETATE
CAS: 29701-13-1
EnglishSynonyms: DIGOXIN, TERAACETATE
pro_mdlNumber: MFCD01730415
pro_acceptors: 18
pro_donors: 2
pro_smile: C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3C[C@H]([C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)O)C)OC(=O)C)O[C@H]7C[C@@H]([C@@H]([C@H](O7)C)O[C@H]8C[C@@H]([C@@H]([C@H](O8)C)OC(=O)C)OC(=O)C)OC(=O)C
InChi: InChI=1S/C49H72O18/c1-23-44(64-29(7)53)36(61-26(4)50)20-42(59-23)66-46-25(3)60-43(21-38(46)63-28(6)52)67-45-24(2)58-41(19-37(45)62-27(5)51)65-32-12-14-47(8)31(17-32)10-11-34-35(47)18-39(54)48(9)33(13-15-49(34,48)56)30-16-40(55)57-22-30/h16,23-25,31-39,41-46,54,56H,10-15,17-22H2,1-9H3/t23-,24-,25-,31-,32+,33-,34-,35+,36+,37+,38+,39-,41+,42+,43+,44-,45-,46-,47+,48+,49+/m1/s1
InChiKey: InChIKey=RASGVLIRXOAHJT-NNVSSKCNSA-N

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