tetrahydrocorphinate

Chemical Formula:

C₄₂H₄₇N₆O₁₄NI

Molecular Weight:

918.565 Daltons

Monoisotopic Mass:

923.2973233419 Daltons

SMILES:

CC3(CC(N)=O)(C(C2(C=C8(N5(C(=CC7(=N6(C(CC1(C(C)(CC(N)=O)C(CCC(=O)[O-])C4(N=1[Ni+](N=2C3=C4)56)))C(C(CCC([O-])=O)7)CC([O-])=O)))C(CCC([O-])=O)C(CC(=O)[O-])8))))CCC([O-])=O)

InChI:

1S/C42H54N6O14.Ni/c1-41(17-33(43)49)23(5-9-37(55)56)29-14-27-21(11-39(59)60)19(3-7-35(51)52)25(45-27)13-26-20(4-8-36(53)54)22(12-40(61)62)28(46-26)15-31-42(2,18-34(44)50)24(6-10-38(57)58)30(48-31)16-32(41)47-29;/h13-14,16,19-24,28,30H,3-12,15,17-18H2,1-2H3,(H11,43,44,45,46,47,49,50,51,52,53,54,55,56,57,58,59,60,61,62);/q;+2/p-7/b32-16-;/t19-,20?,21?,22-,23+,24+,28?,30-,41-,42-;/m0./s1

Databases

MetaCyc: CPD-7591

PubChem (CID): 44229105