Identiteet

Paclitaxel Impurity 79

Pole loetletud · C47H78O10Si3

01Identiteet

Lazychem ID	LC-47030
CAS RN	Pole loetletud
PubChem CID	10748249
Molecular formula	C47H78O10Si3
Molecular weight	887.4 g/mol
IUPAC name	[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9,12,15-tris(triethylsilyloxy)-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKey	IOZIBZFXDDXLPV-GLKQYSEKSA-N

02Struktuur ja stereokeemia

Two-dimensional chemical structure of Paclitaxel Impurity 79 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 9 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	9
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC[Si](CC)(CC)O[C@H]1C[C@@H]2[C@@](CO2)([C@@H]3[C@@]1(C(=O)[C@@H](C4=C([C@H](C[C@@]([C@H]3OC(=O)C5=CC=CC=C5)(C4(C)C)O)O[Si](CC)(CC)CC)C)O[Si](CC)(CC)CC)C)OC(=O)C
InChI	Pole loetletud

03Stereochemistry

The published structure contains 9 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres9Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 512Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.