2D structurePubChem CID 5321698
Идентичност
Paclitaxel Impurity 2
Не е посочено · C33H45NO8
01Идентичност
| Lazychem ID | LC-48984 |
|---|---|
| CAS RN | Не е посочено |
| PubChem CID | 5321698 |
| Molecular formula | C33H45NO8 |
| Molecular weight | 583.7 g/mol |
| IUPAC name | [(1S,2S,3R,5S,8R,9R,10R)-2-acetyloxy-1,9,10-trihydroxy-8,12,15,15-tetramethyl-4-methylidene-13-oxo-5-tricyclo[9.3.1.03,8]pentadec-11-enyl] 3-(dimethylamino)-3-phenylpropanoate |
| InChIKey | AFZSJBXTLZQDLR-WPXHRBNHSA-N |
02Структура и стереохимия
2D structurePubChem CID 5321698
| SMILES | CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)C)OC(=O)CC(C4=CC=CC=C4)N(C)C)C)O)O |
|---|---|
| InChI | Не е посочено |
03Stereochemistry
The published structure contains 7 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres7Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before symmetry reduction
Published same-connectivity configurations
1 recordThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Статус в Индия
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Имена и връзки
API и изходно лекарство
Не е посочено
Имена и връзки
06Източници
- S01PubChem CID 5321698
Structure and machine-readable chemical identifiers.