precorrin-4B
Molecular Formula:
C44H52N4O17
InChI: InChI=1/C44H52N4O17/c1-20(49)44-40-25(14-37(60)61)41(2,12-11-35(56)57)30(47-40)16-27-21(5-8-32(50)51)22(13-36(58)59)26(45-27)15-28-23(6-9-33(52)53)42(3,18-38(62)63)31(46-28)17-29(48-44)24(7-10-34(54)55)43(44,4)19-39(64)65/h17,24,45,48H,5-16,18-19H2,1-4H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63)(H,64,65)/f/h50,52,54,56,58,60,62,64H
InChIKey: InChIKey=IOBDBIPWYQGVMM-LULVEJADCP
SMILES: CC(=O)C12C3=C(C(C(=N3)CC4=C(C(=C(N4)CC5=C(C(C(=N5)C=C(N1)C(C2(C)CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)(C)CCC(=O)O)CC(=O)O
Names:
CPD-651
precorrin-4B
Registries:
PubChem CID 522
PubChem ID 2473
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