basic_info |
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Product_Name: | PROPIONYLMARIDOMYCIN III |
CAS: | 35775-84-9 |
EnglishSynonyms: | PROPIONYLMARIDOMYCIN III |
pro_mdlNumber: | MFCD01939689 |
pro_acceptors: | 18 |
pro_donors: | 2 |
pro_smile: | CCC(=O)O[C@@H]1CC(=O)O[C@@H](C[C@H]2[C@@H](O2)/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C)O[C@H]4C[C@@]([C@H]([C@@H](O4)C)OC(=O)CC)(C)O)N(C)C)O)CC=O)C)OC(=O)CC)C |
InChi: | InChI=1S/C44H71NO17/c1-12-32(47)58-28-15-16-29-30(57-29)20-24(5)54-35(50)21-31(59-33(48)13-2)41(53-11)40(27(17-18-46)19-23(28)4)62-43-38(51)37(45(9)10)39(25(6)56-43)61-36-22-44(8,52)42(26(7)55-36)60-34(49)14-3/h15-16,18,23-31,36-43,51-52H,12-14,17,19-22H2,1-11H3/b16-15+/t23-,24-,25-,26+,27+,28+,29+,30+,31-,36+,37-,38-,39-,40+,41+,42+,43+,44-/m1/s1 |
InChiKey: | InChIKey=XSFFBWHTPMOLEV-CULAOEKASA-N |
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