Chemical identity

Phytomenadione EP Impurity B / Phytomenadione trans-Epoxy Isomer / Phytonadione trans-Epoxy Isomer

CAS 85955-78-8 · C31H46O3

01Identity

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

Lazychem IDLC-25196
PubChem CID90479364
NamePhytomenadione EP Impurity B / Phytomenadione trans-Epoxy Isomer / Phytonadione trans-Epoxy Isomer
CAS RN85955-78-8
Molecular formulaC31H46O3
Molecular weight466.7 g/mol
IUPAC name1a-Methyl-7a-((7R,11R,E)-3,7,11,15-tetramethylhexadec-2-enyl)naphtho[2,3-b]oxirene-2,7(1aH,7aH)-dione
InChIKeyKUTXFBIHPWIDJQ-BTPXSFBUSA-N

02Structure identifiers

2D structurePubChem CID 90479364
Two-dimensional chemical structure of Phytomenadione EP Impurity B / Phytomenadione trans-Epoxy Isomer / Phytonadione trans-Epoxy Isomer, CAS 85955-78-8
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 4 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres4
Unassigned stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H](CCC[C@@H](C)CCC/C(=C/C[C@]12C(=O)C3=CC=CC=C3C(=O)[C@]1(O2)C)/C)CCCC(C)C
InChINot listed
Formula from structureC31H46O3
Molecular weight from structure466.7 g/mol

03Stereochemistry

The published structure contains 4 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres4Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully 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 85955-78-8 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 85955-78-8 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

Phytomenadione

View associated product family

Other names

  • Phytomenadione EP Impurity B
  • Phytomenadione trans-Epoxy Isomer
  • Phytonadione trans-Epoxy Isomer
  • Phytonadione epoxide, (E,2S,3R)-
  • 85955-78-8
  • UNII-Q6K17X9Y3V
  • Q6K17X9Y3V
  • Naphth(2,3-b)oxirene-2,7-dione, 1a,7a-dihydro-1a-methyl-7a-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (1as-(1aalpha,7aalpha(2E,7S*,11S*)))-
  • RefChem:202625
  • (1aR,7aS)-7a-methyl-1a-[(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-enyl]naphtho[2,3-b]oxirene-2,7-dione
  • Vitamin K1 2,3-epoxide
  • Vitamin K1 oxide

Related records from the same parent family

No related records are linked by parent name.

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