Identitet

Paclitaxel Impurity 75

Ikke angivet · C47H53NO15

01Identitet

Lazychem ID	LC-43734
CAS RN	Ikke angivet
PubChem CID	15520911
Molecular formula	C47H53NO15
Molecular weight	871.9 g/mol
IUPAC name	[(1S,2S,3R,4S,5S,7S,8S,10R,13S)-10-acetyloxy-4-(acetyloxymethyl)-13-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,4,5,7-tetrahydroxy-8,12,15,15-tetramethyl-9-oxo-2-tricyclo[9.3.1.03,8]pentadec-11-enyl] benzoate
InChIKey	IQYMRGIQFZZVCP-SJBOGKINSA-N

02Struktur og stereokemi

Two-dimensional chemical structure of Paclitaxel Impurity 75 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 6 rings, includes aromatic atoms, includes aliphatic carbon, has 11 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	11
Ring count	6
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]([C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)O)O)OC(=O)C6=CC=CC=C6)(COC(=O)C)O)O)O)C)OC(=O)C
InChI	Ikke angivet

03Stereochemistry

The published structure contains 11 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres11Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 2,048Before 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.