Identidade

Phytyl acetate

Não indicado · C22H42O2

01Identidade

Lazychem IDLC-50499
CAS RNNão indicado
PubChem CID637195
Molecular formulaC22H42O2
Molecular weight338.6 g/mol
IUPAC name[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl] acetate
InChIKeyJIGCTXHIECXYRJ-ILWBRPEASA-N

02Estrutura e estereoquímica

2D structurePubChem CID 637195
Two-dimensional chemical structure of Phytyl acetate
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure is acyclic, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count0
Secondary amines0
Tertiary amines0
SMILESC[C@@H](CCC[C@@H](C)CCC/C(=C/COC(=O)C)/C)CCCC(C)C
InChINão indicado

03Stereochemistry

The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before 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

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      06Fontes