Identita

Spironolactone Impurity 3

Neuvedeno · C21H28O2

01Identita

Lazychem IDLC-39625
CAS RNNeuvedeno
PubChem CID58834281
Molecular formulaC21H28O2
Molecular weight312.4 g/mol
IUPAC name(10R,13S)-3-ethoxy-10,13-dimethyl-1,2,7,8,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-one
InChIKeyPNXXUAJIUJFWPZ-QGWLNKKWSA-N

02Struktura a stereochemie

2D structurePubChem CID 58834281
Two-dimensional chemical structure of Spironolactone Impurity 3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count4
Secondary amines0
Tertiary amines0
SMILESCCOC1=CC2=CCC3C4CCC(=O)[C@]4(CC=C3[C@]2(CC1)C)C
InChINeuvedeno

03Stereochemistry

The published structure contains 2 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

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      06Zdroje