Identita

Tocopheryl acetate EP Impurity B

CAS 1560716-40-6 · C31H52O3

01Identita

Lazychem IDLC-29794
CAS RN1560716-40-6
PubChem CID89964884
Molecular formulaC31H52O3
Molecular weight472.8 g/mol
IUPAC nameall-rac-cis-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate
InChIKeyBZSRWKZBUYJTAA-RGUOYGGBSA-N

02Struktura a stereochemie

2D structurePubChem CID 89964884
Two-dimensional chemical structure of Tocopheryl acetate EP Impurity B, CAS 1560716-40-6
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 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count2
Secondary amines0
Tertiary amines0
SMILESC[C@@H]1C2=C(C(=C(C(=C2C)OC(=O)C)C)C)O[C@]1(C)CCCC(C)CCCC(C)CCCC(C)C
InChINeuvedeno

03Stereochemistry

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

Defined centres2Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 16Before 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.

04Stav v Indii

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

05Názvy a vztahy

API a mateřské léčivo

Tocopheryl acetate

Nečistoty a související sloučeniny

Názvy a vztahy

  • (2R,3R)-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate
  • 1560716-42-8
  • Vitamin E Impurity 16
  • Vitamin E Impurity 82
  • Vitamin E Impurity 87
  • TD54YA3CHJ
  • SCHEMBL15467982
  • 1560716-40-6
  • all-rac-alpha-TOCOPHERYL ACETATE IMPURITY B [EP IMPURITY]
  • All-rac-alfa-Tocopheryl Acetate EP Impurity B (and Diastereoisomers)
  • 5-Benzofuranol, 2,3-dihydro-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-, 5-acetate, (2R,3R)-rel-
  • all-rac-cis-2,3,4,6,7-pentamethyl-2-(4,8,12-trimethyltridecyl)-2,3-dihydrobenzofuran-5-yl acetate,

Nečistoty a související sloučeniny

    06Zdroje