| Stereochemistry | ABSOLUTE |
| Molecular Formula | C20H24N2O2.C6H5O7.Fe |
| Molecular Weight | 569.361 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.[H][C@@](O)(C1=C2C=C(OC)C=CC2=NC=C1)[C@@]3([H])CC4CCN3C[C@@]4([H])C=C
InChI
InChIKey=FWOCLSFIXZFROP-LGBLWNGASA-K
InChI=1S/C20H24N2O2.C6H8O7.Fe/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;;+3/p-3/t13-,14?,19-,20-;;/m1../s1
| Molecular Formula | Fe |
| Molecular Weight | 55.845 |
| Charge | 3 |
| 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 | C6H5O7 |
| Molecular Weight | 189.0997 |
| Charge | -3 |
| 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 | C20H24N2O2 |
| Molecular Weight | 324.4168 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |