2-DEBENZOYL-2-PENTENOYL DOCETAXEL

pro_cas
pro_cdbregno
CCD06423780
pro_formula
C41 H55 N O14
pro_molWeight
785.878

basic_info

Product_Name: 2-DEBENZOYL-2-PENTENOYL DOCETAXEL
EnglishSynonyms: 2-DEBENZOYL-2-PENTENOYL DOCETAXEL
pro_mdlNumber: MFCD21363556
pro_acceptors: 15
pro_donors: 5
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)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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