Precorrin 6B
Molecular Formula:
C44H56N4O16
InChI: InChI=1/C44H56N4O16/c1-40(13-12-34(55)56)25(15-36(59)60)39-44(5)42(3,20-38(63)64)23(8-11-33(53)54)27(48-44)17-30-41(2,19-37(61)62)22(7-10-32(51)52)28(45-30)18-43(4)24(14-35(57)58)21(6-9-31(49)50)26(47-43)16-29(40)46-39/h17,23,25,39,48H,6-16,18-20H2,1-5H3,(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/b27-17-/t23-,25+,39?,40-,41+,42+,43+,44+/m1/s1/f/h49,51,53,55,57,59,61,63H
InChIKey: InChIKey=KIAIWUYRVXWYAI-IQURMPLMDM
SMILES: CC12CC3=C(C(C(=N3)C=C4C(C(C(N4)(C5C(C(C(=N5)CC(=N1)C(=C2CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O
Names:
C06319
Precorrin 6B
Precorrin 6Y
Registries:
PubChem CID 5280916
PubChem ID 8555
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