COUMERMYCIN A1 ,4434-05-3 _Chemical Cloud Database

COUMERMYCIN A1

Basic Information
Product Name：	COUMERMYCIN A1
CAS：	4434-05-3
English Synonyms：	COUMERMYCIN A1
MDL Number.：	MFCD00864860
H bond acceptor：	25
H bond donor：	9
Smile：	Cc1ccc([nH]1)C(=O)O[C@@H]2[C@@H]([C@@H](OC([C@H]2OC)(C)C)Oc3ccc4c(c(c(=O)oc4c3C)NC(=O)c5c[nH]c(c5C)C(=O)Nc6c(c7ccc(c(c7oc6=O)C)O[C@@H]8[C@@H]([C@@H]([C@H](C(O8)(C)C)OC)OC(=O)c9ccc([nH]9)C)O)O)O)O
InChi：	InChI=1S/C55H59N5O20/c1-21-12-16-29(57-21)48(67)77-42-38(63)52(79-54(6,7)44(42)71-10)73-31-18-14-26-36(61)34(50(69)75-40(26)24(31)4)59-46(65)28-20-56-33(23(28)3)47(66)60-35-37(62)27-15-19-32(25(5)41(27)76-51(35)70)74-53-39(64)43(45(72-11)55(8,9)80-53)78-49(68)30-17-13-22(2)58-30/h12-20,38-39,42-45,52-53,56-58,61-64H,1-11H3,(H,59,65)(H,60,66)/t38-,39+,42+,43-,44-,45+,52+,53-/m0/s1
InChiKey：	InChIKey=WTIJXIZOODAMJT-QKXITESVSA-N

* If the product has intellectual property rights, a license granted is must or contact us.