Identita

Paclitaxel Impurity 62

Neuvedeno · C29H32O10

01Identita

Lazychem ID	LC-41183
CAS RN	Neuvedeno
PubChem CID	44575404
Molecular formula	C29H32O10
Molecular weight	540.6 g/mol
IUPAC name	[(1S,2S,3R,4S,7R,9S,10S)-4-acetyloxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11,12,15-trioxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
InChIKey	QVDGHPMALHVSBN-WTLWSZCSSA-N

02Struktura a stereochemie

Two-dimensional chemical structure of Paclitaxel Impurity 62 — 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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	7
Ring count	5
Secondary amines	0
Tertiary amines	0

SMILES	CC1=C2C(=O)C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(CC1=O)O)OC(=O)C5=CC=CC=C5)(CO4)OC(=O)C)O)C
InChI	Neuvedeno

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 128Before 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.