Basic Information |
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Product Name: | SZECHENYINE |
CAS: | 96562-88-8 |
English Synonyms: | SZECHENYINE |
MDL Number.: | MFCD15071143 |
H bond acceptor: | 12 |
H bond donor: | 2 |
Smile: | CCN1C[C@@]2([C@@H](C[C@@H](C34[C@@H]2[C@H]([C@@H]([C@H]31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)c7ccccc7)([C@H]([C@@H]5O)OC)O)OCC)OC)OC)OC(=O)C)COC |
InChi: | InChI=1S/C36H51NO11/c1-8-37-17-33(18-42-4)22(47-19(3)38)15-23(43-5)35-21-16-34(41)30(48-32(40)20-13-11-10-12-14-20)24(21)36(46-9-2,29(39)31(34)45-7)25(28(35)37)26(44-6)27(33)35/h10-14,21-31,39,41H,8-9,15-18H2,1-7H3/t21-,22-,23+,24-,25+,26+,27-,28-,29+,30-,31+,33+,34-,35?,36-/m1/s1 |
InChiKey: | InChIKey=DXAQZKJLRXMIFW-XQWXAMIASA-N |
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