WILFORTRINE ,37239-48-8 _Chemical Cloud Database

WILFORTRINE

Basic Information
Product Name：	WILFORTRINE
CAS：	37239-48-8
English Synonyms：	WILFORTRINE
MDL Number.：	MFCD01726770
H bond acceptor：	21
H bond donor：	2
Smile：	CC(=O)OC[C@]12[C@@H]([C@@H]([C@@H]3C([C@]14[C@@]([C@H]([C@@H]([C@@H]2OC(=O)C)OC(=O)c5ccoc5)OC(=O)[C@](CCc6c(cccn6)C(=O)OC[C@@]3(O4)C)(C)O)(C)O)OC(=O)C)OC(=O)C)OC(=O)C
InChi：	InChI=1S/C41H47NO20/c1-19(43)54-18-40-32(58-22(4)46)28(56-20(2)44)27-30(57-21(3)45)41(40)39(8,52)31(29(33(40)59-23(5)47)60-34(48)24-12-15-53-16-24)61-36(50)37(6,51)13-11-26-25(10-9-14-42-26)35(49)55-17-38(27,7)62-41/h9-10,12,14-16,27-33,51-52H,11,13,17-18H2,1-8H3/t27-,28-,29+,30?,31+,32-,33+,37-,38+,39+,40-,41+/m1/s1
InChiKey：	InChIKey=JOKOHWLSQAZHFX-CUFUXEKLSA-N
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