JB 69 ,126671-67-8 _Chemical Cloud Database

JB 69

Basic Information
Product Name：	JB 69
CAS：	126671-67-8
English Synonyms：	JB 69
MDL Number.：	MFCD00895707
H bond acceptor：	11
H bond donor：	3
Smile：	CC(C)CCC[C@@H](C)[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/C36H57N2O9P.Na/c1-21(2)7-6-8-22(3)25-9-10-26-33-27(12-15-36(25,26)5)35(4)14-11-24(17-23(35)18-29(33)40)47-48(43,44)45-20-30-28(39)19-32(46-30)38-16-13-31(41)37-34(38)42;/h13,16,18,21-22,24-30,32-33,39-40H,6-12,14-15,17,19-20H2,1-5H3,(H,43,44)(H,37,41,42);/q;+1/p-1/t22-,24+,25-,26+,27+,28+,29+,30-,32-,33+,35+,36-;/m1./s1
InChiKey：	InChIKey=RXBJMCPLNARKGA-WRLANPPASA-M

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