Identidade

Pterosin B

Não indicado · C14H18O2

01Identidade

Lazychem IDLC-116025
CAS RNNão indicado
PubChem CID115049
Molecular formulaC14H18O2
Molecular weight218.29 g/mol
IUPAC name(2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
InChIKeySJNCSXMTBXDZQA-SECBINFHSA-N

02Estrutura e estereoquímica

2D structurePubChem CID 115049
Two-dimensional chemical structure of Pterosin B
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
SMILESC[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
InChINão 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

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.

04Estado na Índia

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

05Nomes e relações

API e fármaco de origem

Não indicado

Nomes e relações

    Impurezas e compostos relacionados

      06Fontes