Chemical identity

2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]benzo[h]chromen-6-ol

CAS not listed · C31H46O2

01Identity

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

Lazychem IDLC-45196
PubChem CID12696338
Name2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]benzo[h]chromen-6-ol
CAS RNNot listed
Molecular formulaC31H46O2
Molecular weight450.7 g/mol
IUPAC name2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]benzo[h]chromen-6-ol
InChIKeyIXEMAIWRPCYZEQ-YYBLMVOESA-N

02Structure identifiers

2D structurePubChem CID 12696338
Two-dimensional chemical structure of 2,5-dimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]benzo[h]chromen-6-ol
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 stereocentres1
Ring count3
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC1=C(C2=CC=CC=C2C3=C1C=CC(O3)(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O
InChINot listed
Formula from structureC31H46O2
Molecular weight from structure450.7 g/mol

03Stereochemistry

The published structure contains 2 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres2Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 8Before symmetry reduction

Published same-connectivity configurations

2 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 FOUNDNo CAS number is available for an exact comparison.
SCOMETNO EXACT REVIEWED CAS MATCHNo CAS number is available for an exact comparison.
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

  • Vitamin K1 Impurity 4

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