Basic Information |
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| Product Name: | 2-DEBENZOYL-2-PENTENOYL DOCETAXEL |
| English Synonyms: | 2-DEBENZOYL-2-PENTENOYL DOCETAXEL |
| MDL Number.: | MFCD21363556 |
| H bond acceptor: | 15 |
| H bond donor: | 5 |
| 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)OC(C)(C)C)O)O)OC(=O)CCC=C)(CO4)OC(=O)C)O)C)O |
| InChi: | InChI=1S/C41H55NO14/c1-10-11-17-27(45)54-34-32-39(9,25(44)18-26-40(32,20-52-26)55-22(3)43)33(48)30(46)28-21(2)24(19-41(34,51)38(28,7)8)53-35(49)31(47)29(23-15-13-12-14-16-23)42-36(50)56-37(4,5)6/h10,12-16,24-26,29-32,34,44,46-47,51H,1,11,17-20H2,2-9H3,(H,42,50)/t24-,25-,26+,29-,30+,31+,32-,34-,39+,40-,41+/m0/s1 |
| InChiKey: | InChIKey=YATCJQWNKUIXRR-MVSNYNITSA-N |
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