Chemical identity

Obeticholic Acid 6β-Ethyl 7-Keto Impurity

CAS 915038-25-4 · C26H42O4

01Identity

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

Lazychem IDLC-23872
PubChem CID67351538
NameObeticholic Acid 6β-Ethyl 7-Keto Impurity
CAS RN915038-25-4
Molecular formulaC26H42O4
Molecular weight418.61 g/mol
IUPAC name(R)-4-((3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-Ethyl-3-hydroxy-10,13-dimethyl-7-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
InChIKeyLHSZAKRHUYJKIU-LYSFKXJOSA-N

02Structure identifiers

2D structurePubChem CID 67351538
Two-dimensional chemical structure of Obeticholic Acid 6β-Ethyl 7-Keto Impurity, CAS 915038-25-4
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 4 rings, includes aliphatic carbon, has 10 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres10
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC[C@H]1[C@@H]2C[C@@H](CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3C1=O)CC[C@@H]4[C@H](C)CCC(=O)O)C)C)O
InChINot listed
Formula from structureC26H42O4
Molecular weight from structure418.61 g/mol

03Stereochemistry

The published structure contains 10 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres10Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 1,024Before 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 915038-25-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 915038-25-4 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

Obeticholic Acid

View API and impurity family

Other names

  • (R)-4-((3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
  • 915038-25-4
  • 6beta-Ethyl-7-keto-obeticholic Acid
  • (4R)-4-[(3R,5S,6S,8S,9S,10S,13R,14S,17R)-6-ethyl-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid
  • Obeticholic Acid Impurity 6
  • Obeticholic Acid Impurity E
  • SCHEMBL2291941
  • LHSZAKRHUYJKIU-LYSFKXJOSA-N
  • 3alpha-hydroxy-6beta-ethyl-7-keto-5beta-cholan-24-oic acid
  • (3a,5ss,6ss)-6-Ethyl-3-hydroxy-7-oxocholan-24-oic Acid
  • (3a,5ss,6ss)-6-Ethyl-3-hydroxy-7-oxo-cholan-24-oic Acid

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