Chemical identity

Trans-Epoxyphytomenadione/ Vitamin K1 2,3-Epoxide

CAS 1588773-08-3 · C31H46O3

01Identity

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

Lazychem IDLC-30002
PubChem CID5460204
NameTrans-Epoxyphytomenadione/ Vitamin K1 2,3-Epoxide
CAS RN1588773-08-3
Molecular formulaC31H46O3
Molecular weight466.7 g/mol
IUPAC name1a-methyl-7a-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
InChIKeyKUTXFBIHPWIDJQ-HBDFACPTSA-N

02Structure identifiers

2D structurePubChem CID 5460204
Two-dimensional chemical structure of Trans-Epoxyphytomenadione/ Vitamin K1 2,3-Epoxide, CAS 1588773-08-3
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Unassigned stereocentres2
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](CCC[C@@H](C)CCC/C(=C/CC12C(=O)C3=CC=CC=C3C(=O)C1(O2)C)/C)CCCC(C)C
InChINot listed
Formula from structureC31H46O3
Molecular weight from structure466.7 g/mol

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

3 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 1588773-08-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 1588773-08-3 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

  • Trans-Epoxyphytomenadione
  • Vitamin K1 2, 3-Epoxide
  • 2,3-Epoxyphylloquinone
  • Vitamin K 2,3-epoxide
  • 2,3-Epoxy-2,3-dihydro-2-methyl-3-phytyl-1,4-naphthoquinone
  • CHEBI:15759
  • 7a-methyl-1a-[(2E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-yl]-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
  • RefChem:81910
  • 1588773-08-3
  • 25486-55-9
  • 1a-Methyl-7a-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-en-1-yl)-1a,7a-dihydronaphtho[2,3-b]oxirene-2,7-dione
  • 2,3-Epoxide Vitamin K1 (Mixture of Diastereomers)

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