basic_info |
|
| Product_Name: | 苯乙醇,3,4-二甲基- |
| CAS: | 88025-84-7 |
| 中文同义词: | 苯乙醇,3,4-二甲基- |
| EnglishSynonyms: | CORTINARIN A |
| pro_mdlNumber: | MFCD11983083 |
| pro_acceptors: | 25 |
| pro_donors: | 14 |
| pro_smile: | CC[C@H](C)[C@H]1C(=O)N[C@H]2CSc3c(c4c([nH]3)cccc4OC)C[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(C)C)CCCN)C(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@@H](C)O)CCCCN)Cc5ccccc5 |
| InChi: | InChI=1S/C58H87N13O12S/c1-9-32(6)47-57(82)67-42-29-84-58-35(45-36(68-58)20-15-22-43(45)83-8)27-41(53(78)69-46(31(4)5)56(81)63-38(21-16-24-60)50(75)64-39(25-30(2)3)52(77)70-47)66-51(76)40(26-34-17-11-10-12-18-34)65-49(74)37(19-13-14-23-59)62-44(73)28-61-55(80)48(33(7)72)71-54(42)79/h10-12,15,17-18,20,22,30-33,37-42,46-48,68,72H,9,13-14,16,19,21,23-29,59-60H2,1-8H3,(H,61,80)(H,62,73)(H,63,81)(H,64,75)(H,65,74)(H,66,76)(H,67,82)(H,69,78)(H,70,77)(H,71,79)/t32-,33+,37-,38-,39-,40-,41-,42-,46-,47-,48-/m0/s1 |
| InChiKey: | InChIKey=UJPAEMACILFKEU-ARWPMVDKSA-N |
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