Identiteit

6-Ketoestrone

Niet vermeld · C18H20O3

01Identiteit

Lazychem IDLC-44988
CAS RNNiet vermeld
PubChem CID12985714
Molecular formulaC18H20O3
Molecular weight284.3 g/mol
IUPAC name(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-6,17-dione
InChIKeyJOVYPIGRPWIXHQ-ONUSSAAZSA-N

02Structuur en stereochemie

2D structurePubChem CID 12985714
Two-dimensional chemical structure of 6-Ketoestrone
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres4
Ring count4
Secondary amines0
Tertiary amines0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=O)C4=C3C=CC(=C4)O
InChINiet vermeld

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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.

04Status in India

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

05Namen en relaties

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