Chemical identity

Digoxin EP Impurity K/ Digoxigenin Tetradigitoxoside

CAS 31539-05-6 · C47H74O17

01Identity

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

Lazychem IDLC-12930
PubChem CID102093783
NameDigoxin EP Impurity K/ Digoxigenin Tetradigitoxoside
CAS RN31539-05-6
Molecular formulaC47H74O17
Molecular weight911.08 g/mol
IUPAC name(3β,5β,12β)-3-[(O-2,6-Dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-β-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-β-D-ribo-hexopyranosyl)oxy]-12,14-dihydroxycard-20(22)-enolide
InChIKeyRDWJFVWFSYHOTB-YQIAHCFOSA-N

02Structure identifiers

2D structurePubChem CID 102093783
Two-dimensional chemical structure of Digoxin EP Impurity K/ Digoxigenin Tetradigitoxoside, CAS 31539-05-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 9 rings, includes aliphatic carbon, has 25 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres25
Unassigned stereocentres0
Ring count9
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@@H]4[C@H](O[C@H](C[C@@H]4O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6C[C@H]([C@]8([C@@]7(CC[C@@H]8C9=CC(=O)OC9)O)C)O)C)C)C)C)O)O
InChINot listed
Formula from structureC47H74O17
Molecular weight from structure911.08 g/mol

03Stereochemistry

The published structure contains 25 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres25Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound2^25Before 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 31539-05-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 31539-05-6 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

Digoxin

View API and impurity family

Other names

  • Digoxin EP Impurity K
  • Digoxigenin Tetradigitoxoside
  • Digoxoside

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