basic_info |
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| Product_Name： | 4-异噻唑乙醇,3-甲氧基-5-甲基-(9CI) |
| CAS： | 142632-33-5 |
| 中文同义词： | 4-异噻唑乙醇,3-甲氧基-5-甲基-(9CI) |
| EnglishSynonyms： | CALANOLIDE B |
| pro_mdlNumber： | MFCD00924187 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CCCc1cc(=O)oc2c1c3c(c4c2[C@@H]([C@@H]([C@H](O4)C)C)O)C=CC(O3)(C)C |
| InChi： | InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1 |
| InChiKey： | InChIKey=NIDRYBLTWYFCFV-SEDUGSJDSA-N |
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