PACLITAXEL C13 ,379688-61-6 _Chemical Cloud Database

PACLITAXEL C13

Basic Information
Product Name：	PACLITAXEL C13
CAS：	379688-61-6
English Synonyms：	PACLITAXEL C13
MDL Number.：	MFCD11113788
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]([13c]5[13cH][13cH][13cH][13cH][13cH]5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(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/i7+1,10+1,11+1,16+1,17+1,28+1
InChiKey：	InChIKey=RCINICONZNJXQF-RARVSKGZSA-N

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