SIMOTAXEL ,791635-59-1 _Chemical Cloud Database

SIMOTAXEL

Basic Information
Product Name：	SIMOTAXEL
CAS：	791635-59-1
English Synonyms：	SIMOTAXEL ; TL 909
MDL Number.：	MFCD13195573
H bond acceptor：	16
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](c5cccs5)NC(=O)OC(C)C)O)O)OC(=O)c6ccccc6)(CO4)OC(=O)C)O)C)OC(=O)C7CCCC7
InChi：	InChI=1S/C46H57NO15S/c1-23(2)58-42(55)47-33(29-18-13-19-63-29)34(50)41(54)59-28-21-46(56)38(61-40(53)27-14-9-8-10-15-27)36-44(7,30(49)20-31-45(36,22-57-31)62-25(4)48)37(51)35(32(24(28)3)43(46,5)6)60-39(52)26-16-11-12-17-26/h8-10,13-15,18-19,23,26,28,30-31,33-36,38,49-50,56H,11-12,16-17,20-22H2,1-7H3,(H,47,55)/t28-,30-,31+,33-,34+,35+,36-,38-,44+,45-,46+/m0/s1
InChiKey：	InChIKey=SLGIWUWTSWJBQE-VLCCYYTCSA-N

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