cobalt-precorrin-8

Chemical Formula:

C₄₅H₅₃N₄O₁₄CO

Molecular Weight:

932.862 Daltons

Monoisotopic Mass:

939.3438028562 Daltons

SMILES:

CC2(C1(C(CCC([O-])=O)=C(C)C6(C)([N+]=1[Co--]58([N+]3([CH](C(C(CCC([O-])=O)(C)C2=3)CC([O-])=O)C4(C)(C(C)(CC([O-])=O)C(CCC(=O)[O-])C([N+]45)=C(C7(=[N+](C(C6)=C(C(C)(CC([O-])=O)7)CCC([O-])=O)8))C))))))

InChI:

1S/C45H60N4O14.Co/c1-21-36-24(9-12-29(50)51)23(3)44(7,48-36)18-28-25(10-13-30(52)53)42(5,19-34(60)61)39(46-28)22(2)37-26(11-14-31(54)55)43(6,20-35(62)63)45(8,49-37)40-27(17-33(58)59)41(4,38(21)47-40)16-15-32(56)57;/h21,26-27,40,49H,9-20H2,1-8H3,(H,50,51)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H,60,61)(H,62,63);/q;+2/p-7/b37-22-;/t21?,26-,27+,40-,41-,42+,43+,44+,45+;/m1./s1

InChIKey:

VRQQVVAJGCEBJL-KULNHNNRSA-G

Synonyms

cobalt-precorrin-8x

Databases

MetaCyc: CPD-9045

PubChem (CID): 90657886 135926593

ChEBI: 3795

KEGG: C11545

Seed: cpd08375

MetaNetX: MNXM145761