Identitet

Tonalide

Inte angivet · C18H26O

01Identitet

Lazychem IDLC-118765
CAS RNInte angivet
PubChem CID89440
Molecular formulaC18H26O
Molecular weight258.4 g/mol
IUPAC name1-(3,5,5,6,8,8-hexamethyl-6,7-dihydronaphthalen-2-yl)ethanone
InChIKeyDNRJTBAOUJJKDY-UHFFFAOYSA-N

02Struktur och stereokemi

2D structurePubChem CID 89440
Two-dimensional chemical structure of Tonalide
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. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
SMILESCC1CC(C2=C(C1(C)C)C=C(C(=C2)C(=O)C)C)(C)C
InChIInte angivet

03Stereochemistry

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

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact 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.

04Status i Indien

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

05Namn och relationer

API och moderläkemedel

Inte angivet

Namn och relationer

    Föroreningar och relaterade föreningar

      06Källor