basic_info |
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Product_Name: | BACOPASAPONIN C |
CAS: | 178064-13-6 |
EnglishSynonyms: | BACOPASAPONIN C |
pro_mdlNumber: | MFCD09265218 |
pro_acceptors: | 17 |
pro_donors: | 9 |
pro_smile: | CC(=C[C@@H]1CO[C@]23C[C@]4(CO2)[C@@H]([C@@H]3[C@@]1(C)O)CC[C@H]5[C@]4(CC[C@@H]6[C@@]5(CC[C@@H](C6(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H](O9)CO)O)O)C)C)C |
InChi: | InChI=1S/C46H74O17/c1-21(2)14-22-17-57-46-19-45(20-58-46)23(37(46)44(22,7)55)8-9-28-42(5)12-11-29(41(3,4)27(42)10-13-43(28,45)6)61-40-36(63-38-33(53)31(51)26(16-48)60-38)35(24(49)18-56-40)62-39-34(54)32(52)30(50)25(15-47)59-39/h14,22-40,47-55H,8-13,15-20H2,1-7H3/t22-,23-,24+,25-,26+,27+,28-,29+,30-,31+,32+,33-,34-,35+,36-,37-,38+,39+,40+,42+,43-,44+,45+,46-/m1/s1 |
InChiKey: | InChIKey=ZOFQVMPJZHCDBS-FFWRZSCYSA-N |
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