Tunnistetiedot

Valencene

Ei ilmoitettu · C15H24

01Tunnistetiedot

Lazychem IDLC-81849
CAS RNEi ilmoitettu
PubChem CID9855795
Molecular formulaC15H24
Molecular weight204.35 g/mol
IUPAC name(3R,4aS,5R)-4a,5-dimethyl-3-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene
InChIKeyQEBNYNLSCGVZOH-NFAWXSAZSA-N

02Rakenne ja stereokemia

2D structurePubChem CID 9855795
Two-dimensional chemical structure of Valencene
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 3 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres3
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C
InChIEi ilmoitettu

03Stereochemistry

The published structure contains 3 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres3Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 8Before 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

Ei ilmoitettu

Nimet ja suhteet

    Epäpuhtaudet ja lähiyhdisteet

      06Lähteet