Chemical identity

Phytonadione Trans-IV

CAS 132487-94-6 · C31H46O2

01Identity

Identifiers and names for this exact compound. Empty fields are left unassigned.

Lazychem IDLC-25201
PubChem CID7048753
NamePhytonadione Trans-IV
CAS RN132487-94-6
Molecular formulaC31H46O2
Molecular weight450.71 g/mol
IUPAC name2-Methyl-3-((7S,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione
InChIKeyMBWXNTAXLNYFJB-JHBCSKSVSA-N

02Structure identifiers

2D structurePubChem CID 7048753
Two-dimensional chemical structure of Phytonadione Trans-IV, CAS 132487-94-6
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
Unassigned stereocentres0
Ring count2
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C(=O)C2=CC=CC=C2C1=O)C/C=C(\C)/CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C
InChINot listed
Formula from structureC31H46O2
Molecular weight from structure450.71 g/mol

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

11 records

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.

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.

04India status for this compound

These results apply only to this exact compound name and CAS number. Confirm the current official instruments before making a regulatory decision.

NDPS / RCSNO EXACT MATCH FOUNDCAS 132487-94-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 132487-94-6 has no exact match in the reviewed SCOMET list.
Review date2026-08-01Recheck the current official instruments for the material, concentration, activity and date in question.

05Names and relationships

Associated parent compound

Phytonadione

View associated product family

Other names

  • 132487-94-6
  • Phytonadione Trans-IV
  • trans-Vitamin K1 enantiomer
  • Vitamin K1 Impurity 15
  • Vitamin K1 Impurity 121
  • KG2U52W6Y3
  • Phytomenadione/Vitamin K1 Impurity 94
  • 2-Methyl-3-((7S,11S,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphthalene-1,4-dione

Related records from the same parent family

06Documented history

Dated discovery, occurrence, use and issue claims are published only when a suitable primary or government source is available.

No dated history available

No verified discovery, first report, occurrence, use or issue event is currently available for this identity.

07Sources