PACLITAXEL [2-BENZOYL RING 13C]_Chemical Cloud Database

PACLITAXEL [2-BENZOYL RING 13C]

Basic Information
Product Name：	PACLITAXEL [2-BENZOYL RING 13C]
English Synonyms：	PACLITAXEL [2-BENZOYL RING 13C] ; TAXOL [2-BENZOYL RING 13C]
MDL Number.：	MFCD08061768
H bond acceptor：	15
H bond donor：	4
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)[13c]7[13cH][13cH][13cH][13cH][13cH]7)(CO4)OC(=O)C)O)C)OC(=O)C
InChi：	InChI=1S/C47H51NO14/c1-25-31(60-43(56)36(52)35(28-16-10-7-11-17-28)48-41(54)29-18-12-8-13-19-29)23-47(57)40(61-42(55)30-20-14-9-15-21-30)38-45(6,32(51)22-33-46(38,24-58-33)62-27(3)50)39(53)37(59-26(2)49)34(25)44(47,4)5/h7-21,31-33,35-38,40,51-52,57H,22-24H2,1-6H3,(H,48,54)/t31-,32-,33+,35-,36+,37+,38+,40-,45+,46-,47+/m0/s1/i9+1,14+1,15+1,20+1,21+1,30+1
InChiKey：	InChIKey=RCINICONZNJXQF-ZSBXTCAZSA-N

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