Identidad

(+)-Kavain

No indicado · C14H14O3

01Identidad

Lazychem IDLC-85657
CAS RNNo indicado
PubChem CID5281565
Molecular formulaC14H14O3
Molecular weight230.26 g/mol
IUPAC name(2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one
InChIKeyXEAQIWGXBXCYFX-GUOLPTJISA-N

02Estructura y estereoquímica

2D structurePubChem CID 5281565
Two-dimensional chemical structure of (+)-Kavain
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 2 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count2
Secondary amines0
Tertiary amines0
SMILESCOC1=CC(=O)O[C@H](C1)/C=C/C2=CC=CC=C2
InChINo indicado

03Stereochemistry

The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before 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.

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.

04Estado en India

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

05Nombres y relaciones

API y fármaco de origen

No indicado

Nombres y relaciones

    Impurezas y compuestos relacionados

      06Fuentes