Identita

Paclitaxel Impurity 2

Neuvedeno · C33H45NO8

01Identita

Lazychem ID	LC-48984
CAS RN	Neuvedeno
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

02Struktura a stereochemie

Two-dimensional chemical structure of Paclitaxel Impurity 2 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	4
Secondary amines	0
Tertiary amines	1

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	Neuvedeno

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 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.