basic_info |
|
| Product_Name: | 5-PROPARGYLOXY-DU CEP |
| EnglishSynonyms: | 5-PROPARGYLOXY-DU CEP |
| pro_mdlNumber: | MFCD08062048 |
| pro_acceptors: | 13 |
| pro_donors: | 1 |
| pro_smile: | CC(C)N(C(C)C)P(OCCC#N)O[C@H]1C[C@@H](O[C@@H]1COC(c2ccccc2)(c3ccc(cc3)OC)c4ccc(cc4)OC)n5cc(c(=O)[nH]c5=O)OCC#C |
| InChi: | InChI=1S/C42H49N4O9P/c1-8-24-51-37-27-45(41(48)44-40(37)47)39-26-36(55-56(53-25-12-23-43)46(29(2)3)30(4)5)38(54-39)28-52-42(31-13-10-9-11-14-31,32-15-19-34(49-6)20-16-32)33-17-21-35(50-7)22-18-33/h1,9-11,13-22,27,29-30,36,38-39H,12,24-26,28H2,2-7H3,(H,44,47,48)/t36-,38+,39+,56?/m0/s1 |
| InChiKey: | InChIKey=NNSOYTAKEZRECB-QNZMTTSZSA-N |
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