7,7-AZO-3-A,12-A-DIHYDROXYCHOLANIC ACID ,86992-52-1 _ChemCD

7,7-AZO-3-A,12-A-DIHYDROXYCHOLANIC ACID

basic_info
Product_Name：	7,7-AZO-3-A,12-A-DIHYDROXYCHOLANIC ACID
CAS：	86992-52-1
EnglishSynonyms：	7,7-AZO-3-A,12-ALPHA-DIHYDROXYCHOLANIC ACID ; 7,7-AZO-3-A,12-A-DIHYDROXYCHOLANIC ACID
pro_mdlNumber：	MFCD02683269
pro_acceptors：	10
pro_donors：	6
pro_smile：	C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2C(CC4[C@@]3(CC[C@H](C4)O)C)/N=N/C5CC6C[C@@H](CC[C@@]6([C@@H]7[C@@H]5[C@@H]8CC[C@@H]([C@]8([C@H](C7)O)C)[C@H](C)CCC(=O)O)C)O)O)C
InChi：	InChI=1S/C48H78N2O8/c1-25(7-13-41(55)56)31-9-11-33-43-35(23-39(53)47(31,33)5)45(3)17-15-29(51)19-27(45)21-37(43)49-50-38-22-28-20-30(52)16-18-46(28,4)36-24-40(54)48(6)32(10-12-34(48)44(36)38)26(2)8-14-42(57)58/h25-40,43-44,51-54H,7-24H2,1-6H3,(H,55,56)(H,57,58)/b50-49+/t25-,26-,27?,28?,29-,30-,31-,32-,33+,34+,35+,36+,37?,38?,39+,40+,43+,44+,45+,46+,47-,48-/m1/s1
InChiKey：	InChIKey=DPYATGNPGSIQMW-UZVFPNIHSA-N
property
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