| Stereochemistry | ABSOLUTE |
| Molecular Formula | C22H24N2O8.C7H8O5S |
| Molecular Weight | 648.635 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=CC=C(C=C1O)S(O)(=O)=O.C[C@@H]2[C@H]3[C@H](O)[C@H]4[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]4(O)C(O)=C3C(=O)C5=C(O)C=CC=C25
InChI
InChIKey=YDPWIEPRBQMXQC-CVHRZJFOSA-N
InChI=1S/C22H24N2O8.C7H8O5S/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-12-7-3-2-5(4-6(7)8)13(9,10)11/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);2-4,8H,1H3,(H,9,10,11)/t7-,10+,14+,15-,17-,22-;/m0./s1
| Molecular Formula | C7H8O5S |
| Molecular Weight | 204.2 |
| 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 | C22H24N2O8 |
| Molecular Weight | 444.4346 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |