Tunnistetiedot

(+)-alpha-Cyperone

Ei ilmoitettu · C15H22O

01Tunnistetiedot

Lazychem IDLC-84039
CAS RNEi ilmoitettu
PubChem CID6452086
Molecular formulaC15H22O
Molecular weight218.33 g/mol
IUPAC name(4aS,7R)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
InChIKeyKUFXJZXMWHNCEH-DOMZBBRYSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 6452086
Two-dimensional chemical structure of (+)-alpha-Cyperone
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
SMILESCC1=C2C[C@@H](CC[C@]2(CCC1=O)C)C(=C)C
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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.

04Tila Intiassa

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

05Nimet ja suhteet

API ja emolääke

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    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet