basic_info |
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Product_Name: | 7-紫杉醇 |
CAS: | 92950-39-5 |
中文同义词: | 7-紫杉醇 |
EnglishSynonyms: | 7-ACETYLTAXOL ; ACETYLTAXOL, 7- ; 7-ACETYL PACLITAXEL |
pro_mdlNumber: | MFCD09264627 |
pro_acceptors: | 16 |
pro_donors: | 3 |
pro_smile: | CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)C)C)OC(=O)C |
InChi: | InChI=1S/C49H53NO15/c1-26-33(63-45(58)38(54)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1 |
InChiKey: | InChIKey=QHVFIEKTXYELRR-XOVTVWCYSA-N |
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