basic_info |
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Product_Name: | 5'-IODORESINIFERATOXIN |
CAS: | 535974-91-5 |
EnglishSynonyms: | I-RTX ; 5'-IRTX ; 5'-IODORESINIFERATOXIN ; IODORESINIFERATOXIN ; 6,7-DEEPOXY-6,7-DIDEHYDRO-5-DEOXY-21-DEPHENYL-21-(PHENYLMETHYL)-DAPHNETOXIN,20-(4-HYDROXY-5-IODO-3-METHOXYBENZENEACETATE) ; 20-(4-HYDROXY-5-IODO-3-METHOXYBENZENEACETATE) |
pro_mdlNumber: | MFCD09971003 |
pro_acceptors: | 9 |
pro_donors: | 2 |
pro_smile: | C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6cc(c(c(c6)I)O)OC)O)C)OC(O3)(O2)Cc7ccccc7)C(=C)C |
InChi: | InChI=1S/C37H39IO9/c1-20(2)35-16-22(4)37-26(33(35)45-36(46-35,47-37)18-23-9-7-6-8-10-23)12-25(17-34(42)29(37)11-21(3)32(34)41)19-44-30(39)15-24-13-27(38)31(40)28(14-24)43-5/h6-14,22,26,29,33,40,42H,1,15-19H2,2-5H3/t22-,26+,29-,33-,34-,35-,36?,37-/m1/s1 |
InChiKey: | InChIKey=TZUJORCXGLGWDV-RYACRXIZSA-N |
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