Identität

Cholecalciferol Impurity 9

Nicht angegeben · C31H50O2

01Identität

Lazychem ID	LC-37691
CAS RN	Nicht angegeben
PubChem CID	73946688
Molecular formula	C31H50O2
Molecular weight	454.7 g/mol
IUPAC name	[(1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] butanoate
InChIKey	QUUDUVNKJWQDFG-GSQKBTBFSA-N

02Struktur und Stereochemie

Two-dimensional chemical structure of Cholecalciferol Impurity 9 — Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aliphatic carbon, has 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres	5
Ring count	3
Secondary amines	0
Tertiary amines	0

SMILES	CCCC(=O)O[C@H]1CCC(=C)/C(=C/C=C/2\CCC[C@]3([C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)C)/C1
InChI	Nicht angegeben

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

2 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.