10-OXO DOCETAXEL

CAS No.
167074-97-7
CCD No.
CCD08058381
Formula
C43 H51 N O14
MolWeight
805.869

Basic Information

Product Name: 10-OXO DOCETAXEL
CAS: 167074-97-7
English Synonyms: 10-OXO DOCETAXEL
MDL Number.: MFCD00935992
H bond acceptor: 15
H bond donor: 4
Smile: CC1=C2C(=O)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)c6ccccc6)(CO4)OC(=O)C)O)C
InChi: InChI=1S/C43H51NO14/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45/h9-18,26-28,30,32-33,35,46,48,53H,19-21H2,1-8H3,(H,44,52)/t26-,27-,28+,30-,32+,33-,35-,41+,42-,43+/m0/s1
InChiKey: InChIKey=ZOLQDWANVNOXBK-YYCGEXIESA-N

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