| Stereochemistry | MIXED |
| Molecular Formula | C27H30N2.C6H8O7 |
| Molecular Weight | 574.664 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed mixed |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.C1CCN(C1)C2CC(C(C(C2)C3=CC=CC=C3)C4=NC=CC=C4)C5=CC=CC=C5
InChI
InChIKey=ZZMNFTXEFGZAOA-UHFFFAOYSA-N
InChI=1S/C27H30N2.C6H8O7/c1-3-11-21(12-4-1)24-19-23(29-17-9-10-18-29)20-25(22-13-5-2-6-14-22)27(24)26-15-7-8-16-28-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h1-8,11-16,23-25,27H,9-10,17-20H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| 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 | C27H30N2 |
| Molecular Weight | 382.5405 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
