Stereochemistry | ABSOLUTE |
Molecular Formula | C54H70N4O6.Mg |
Molecular Weight | 895.4618 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[Mg++].CCC1=C(C)C2=NC1=CC3=C(C)C4=C([N-]3)C([C@@H](C(=O)OC)C4=O)=C5N=C(C=C6[N-]C(=C2)C(C=O)=C6C)[C@@H](C)[C@@H]5CCC(=O)OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
InChI
InChIKey=QXWRYZIMSXOOPY-SKHCYZARSA-M
InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3;/h24,26-32,35,39,50H,12-23,25H2,1-11H3,(H-,55,56,57,58,59,61);/q-1;+2/p-1/b33-24+;/t31-,32-,35+,39+,50-;/m1./s1
Molecular Formula | Mg |
Molecular Weight | 24.305 |
Charge | 2 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C54H70N4O6 |
Molecular Weight | 871.1568 |
Charge | 0 |
Count |
MOL RATIO
1 MOL RATIO (average) |
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |