Identità

Ulipristal Impurity 6

Mhux elenkat · C30H37NO4

01Identità

Lazychem ID	LC-44598
CAS RN	Mhux elenkat
PubChem CID	13559284
Molecular formula	C30H37NO4
Molecular weight	475.6 g/mol
IUPAC name	[(8S,11S,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
InChIKey	OOLLAFOLCSJHRE-HXSXYBSHSA-N

02Struttura u stereokimika

Two-dimensional chemical structure of Ulipristal Impurity 6 — 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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	5
Secondary amines	0
Tertiary amines	1

SMILES	CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)OC(=O)C
InChI	Mhux elenkat

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned

Unassigned centres0Structure unspecified

Assignment statusFully assignedExact published identity

Tetrahedral upper bound≤ 32Before symmetry reduction

Published same-connectivity configurations

3 records

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.