Basic Information |
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Product Name: | LABRIFORMIN |
CAS: | 66419-07-6 |
English Synonyms: | LABRIFORMIN |
MDL Number.: | MFCD01745153 |
H bond acceptor: | 11 |
H bond donor: | 3 |
Smile: | C[C@@H]1CC2([C@]3([C@@H](O1)O[C@@H]4C[C@@H]5C[C@H]6C7(O6)[C@@H]([C@]5(C[C@H]4O3)C)[C@@H](C(=O)[C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)O)N=CCS2 |
InChi: | InChI=1S/C31H39NO10S/c1-14-11-29(32-6-7-43-29)31(37)25(39-14)40-18-9-16-10-20-30(42-20)23(26(16,2)12-19(18)41-31)22(34)24(35)27(3)17(4-5-28(27,30)36)15-8-21(33)38-13-15/h6,8,14,16-20,22-23,25,34,36-37H,4-5,7,9-13H2,1-3H3/t14-,16-,17-,18-,19-,20+,22+,23-,25+,26+,27+,28-,29?,30?,31-/m1/s1 |
InChiKey: | InChIKey=BGKAKFOJZRBENJ-UMQLANBVSA-N |
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