Identità

(+)-Methysticin

Non indicato · C15H14O5

01Identità

Lazychem IDLC-85656
CAS RNNon indicato
PubChem CID5281567
Molecular formulaC15H14O5
Molecular weight274.27 g/mol
IUPAC name(2R)-2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-4-methoxy-2,3-dihydropyran-6-one
InChIKeyGTEXBOVBADJOQH-FWEMWIAWSA-N

02Struttura e stereochimica

2D structurePubChem CID 5281567
Two-dimensional chemical structure of (+)-Methysticin
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre. These statements are calculated from the published structure string.

Defined stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
SMILESCOC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3
InChINon indicato

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

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.

04Stato in India

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

05Nomi e relazioni

API e farmaco progenitore

Non indicato

Nomi e relazioni

    Impurezze e composti correlati

      06Fonti