| Stereochemistry | EPIMERIC |
| Molecular Formula | C58H58Cl3NO17 |
| Molecular Weight | 1147.437 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 11 / 12 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
![Structure of 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate](/img/f9d9005c-3c40-4379-aa59-3438f3f2c761.svg?size=400&version=4&stereo=false "Structure of 7-{[(2,2,2,-Trichloroethyl)oxy]carbonyl} Baccatin III (4S, 5S)-3-Benzoyl-2-(4-methoxyphenyl)-4-phenyl-5-oxazolidinecarboxylate")
SMILES
COC1=CC=C(C=C1)C2O[C@@H]([C@@H](N2C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)O[C@H]5C[C@@]6(O)[C@@H](OC(=O)C7=CC=CC=C7)[C@@H]8[C@@]9(CO[C@@H]9C[C@H](OC(=O)OCC(Cl)(Cl)Cl)[C@@]8(C)C(=O)[C@H](OC(C)=O)C(=C5C)C6(C)C)OC(C)=O
InChI
InChIKey=JABJUHJHKGUSBT-UFUYEPBMSA-N
InChI=1S/C58H58Cl3NO17/c1-31-39(75-52(68)45-43(34-17-11-8-12-18-34)62(49(66)35-19-13-9-14-20-35)50(77-45)36-23-25-38(71-7)26-24-36)28-57(70)48(78-51(67)37-21-15-10-16-22-37)46-55(6,47(65)44(74-32(2)63)42(31)54(57,4)5)40(76-53(69)73-30-58(59,60)61)27-41-56(46,29-72-41)79-33(3)64/h8-26,39-41,43-46,48,50,70H,27-30H2,1-7H3/t39-,40-,41+,43-,44+,45-,46-,48-,50?,55+,56-,57+/m0/s1
| Molecular Formula | C58H58Cl3NO17 |
| Molecular Weight | 1147.437 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | EPIMERIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 11 / 12 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |