precorrin-3B
Molecular Formula:
C43H50N4O17
InChI: InChI=1/C43H50N4O17/c1-40(17-37(60)61)23(6-10-33(52)53)28-15-27-21(12-35(56)57)19(4-8-31(48)49)25(44-27)14-26-20(5-9-32(50)51)22(13-36(58)59)39(46-26)42(3,63)43-41(2,18-38(62)64-43)24(7-11-34(54)55)29(47-43)16-30(40)45-28/h15-16,23-24,44-46,63H,4-14,17-18H2,1-3H3,(H,48,49)(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)/f/h48,50,52,54,56,58,60H
InChIKey: InChIKey=XJMAPDWWEYBIHV-YQZXQUPZCK
SMILES: CC12CC(=O)OC13C(C4=C(C(=C(N4)CC5=C(C(=C(N5)C=C6C(C(C(=CC(=N3)C2CCC(=O)O)N6)(C)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O)O)(C)O
Names:
CPD-643
precorrin-3B
Registries:
PubChem CID 518
PubChem ID 2469
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