basic_info |
|
| Product_Name: | ESTERASTIN |
| CAS: | 67655-93-0 |
| EnglishSynonyms: | ESTERASTIN |
| pro_mdlNumber: | MFCD01664802 |
| pro_acceptors: | 8 |
| pro_donors: | 2 |
| pro_smile: | CCCCCC[C@H]1[C@@H](OC1=O)C[C@H](C/C=C\C/C=C\CCCCC)OC(=O)[C@H](CC(=O)N)NC(=O)C |
| InChi: | InChI=1S/C28H46N2O6/c1-4-6-8-10-11-12-13-14-15-17-22(35-28(34)24(20-26(29)32)30-21(3)31)19-25-23(27(33)36-25)18-16-9-7-5-2/h11-12,14-15,22-25H,4-10,13,16-20H2,1-3H3,(H2,29,32)(H,30,31)/b12-11-,15-14-/t22-,23-,24-,25-/m0/s1 |
| InChiKey: | InChIKey=JKNGELGDDBUFHG-JJPNXARGSA-N |
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