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XESTOSTEROLESTER-OF-18,18-DIBROMO-OCTADECA-(9E,17)-DIENE-5,7-DIYNOIC-ACID
SpectraBase Compound ID 4OtFeHlf1IN
InChI InChI=1S/C48H70Br2O2/c1-7-38(8-2)36(3)25-26-37(4)42-29-30-43-41-28-27-39-35-40(31-33-47(39,5)44(41)32-34-48(42,43)6)52-46(51)24-22-20-18-16-14-12-10-9-11-13-15-17-19-21-23-45(49)50/h9-10,23,27,37-38,40-44H,3,7-8,11,13,15,17,19-22,24-26,28-35H2,1-2,4-6H3/b10-9+/t37-,40+,41+,42-,43+,44+,47+,48-/m1/s1
InChIKey SQQMDZCAPGZEGK-ARLIBASKSA-N
Mol Weight 838.9 g/mol
Molecular Formula C48H70Br2O2
Exact Mass 836.374257 g/mol
Enantiomer InChIKey SQQMDZCAPGZEGK-YBSZJBGLSA-N
Unknown Identification

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