Chemical identity

Dihydrovitamin K1

CAS 572-96-3 · C31H48O2

01Identity

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

Lazychem IDLC-12977
PubChem CID5280585
NameDihydrovitamin K1
CAS RN572-96-3
Molecular formulaC31H48O2
Molecular weight452.71 g/mol
IUPAC name[R-[R*,R*-(E)]]-2-Methyl-3-(3,7,11,15-tetramethylhexadec-2-enyl)naphthalene-1,4-diol
InChIKeyBUFJIHPUGZHTHL-NKFFZRIASA-N

02Structure identifiers

2D structurePubChem CID 5280585
Two-dimensional chemical structure of Dihydrovitamin K1, CAS 572-96-3
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(C2=CC=CC=C2C(=C1C/C=C(\C)/CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O)O
InChINot listed
Formula from structureC31H48O2
Molecular weight from structure452.71 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

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.

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 572-96-3 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 572-96-3 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

No parent compound is listed.

Other names

  • Phytonadiol
  • 572-96-3
  • Dihydrovitamin K1
  • Vitamin K1 hydroquinone
  • O8GP21P496
  • DTXSID90409306
  • DTXSID201343196
  • RefChem:929243
  • DTXCID301069535
  • DTXCID701772009
  • 209-344-8
  • phyllohydroquinone

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