7-ACETYL PACLITAXEL

CAS No.
92950-39-5
CCD No.
CCD00738940
Formula
C49 H53 N O15
MolWeight
895.95

Basic Information

Product Name: 7-ACETYL PACLITAXEL
CAS: 92950-39-5
English Synonyms: ACETYLTAXOL, 7- ; 7-ACETYL PACLITAXEL ; 7-ACETYLTAXOL
MDL Number.: MFCD09264627
H bond acceptor: 16
H bond donor: 3
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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