JC 40 ,126671-68-9 _Chemical Cloud Database

JC 40

Basic Information
Product Name：	JC 40
CAS：	126671-68-9
English Synonyms：	JC 40
MDL Number.：	MFCD00895708
H bond acceptor：	12
H bond donor：	4
Smile：	C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)OP(=O)([O-])OC[C@@H]5[C@H](C[C@@H](O5)n6ccc(=O)[nH]c6=O)O)C)O)C.[Na+]
InChi：	InChI=1S/C36H57N2O10P.Na/c1-21(7-6-13-34(2,3)43)24-8-9-25-32-26(11-15-36(24,25)5)35(4)14-10-23(17-22(35)18-28(32)40)48-49(44,45)46-20-29-27(39)19-31(47-29)38-16-12-30(41)37-33(38)42;/h12,16,18,21,23-29,31-32,39-40,43H,6-11,13-15,17,19-20H2,1-5H3,(H,44,45)(H,37,41,42);/q;+1/p-1/t21-,23+,24-,25+,26+,27+,28+,29-,31-,32+,35+,36-;/m1./s1
InChiKey：	InChIKey=PMPQVUXZSCORCK-ZCIASYMTSA-M

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