Basic Information |
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Product Name: | 7-(2',3''-DIHYDROXYPROPYL CARBONOXY)PACLITAXEL |
English Synonyms: | 7-(2',3''-DIHYDROXYPROPYL CARBONOXY)PACLITAXEL |
MDL Number.: | MFCD04974210 |
H bond acceptor: | 18 |
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)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)OC(=O)CC(CO)O)C)OC(=O)C |
InChi: | InChI=1S/C51H57NO17/c1-27-34(66-47(62)40(58)39(30-16-10-7-11-17-30)52-45(60)31-18-12-8-13-19-31)24-51(63)44(68-46(61)32-20-14-9-15-21-32)42-49(6,43(59)41(65-28(2)54)38(27)48(51,4)5)35(67-37(57)22-33(56)25-53)23-36-50(42,26-64-36)69-29(3)55/h7-21,33-36,39-42,44,53,56,58,63H,22-26H2,1-6H3,(H,52,60)/t33?,34-,35-,36+,39-,40+,41+,42-,44-,49+,50-,51+/m0/s1 |
InChiKey: | InChIKey=XIBMCEZTEJILDQ-VIUGKZHDSA-N |
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