Chemical identity

11b-Hydroxy-3-oxo-androsta-1,4-diene-17b-carboxylic Acid

CAS 75448-51-0 · C20H26O4

01Identity

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

Lazychem IDLC-25889
PubChem CID139025432
Name11b-Hydroxy-3-oxo-androsta-1,4-diene-17b-carboxylic Acid
CAS RN75448-51-0
Molecular formulaC20H26O4
Molecular weight330.42 g/mol
IUPAC name(8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid
InChIKeyPHNBOEHKSHHULD-SEMYFXIOSA-N

02Structure identifiers

2D structurePubChem CID 139025432
Two-dimensional chemical structure of 11b-Hydroxy-3-oxo-androsta-1,4-diene-17b-carboxylic Acid, CAS 75448-51-0
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 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12C[C@@H]([C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC4=CC(=O)C=C[C@]34C)O
InChINot listed
Formula from structureC20H26O4
Molecular weight from structure330.42 g/mol

03Stereochemistry

The published structure contains 7 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 128Before 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 75448-51-0 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 75448-51-0 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

Prednisolone

View API and impurity family

Other names

  • Prednisolone Impurity 20
  • 11b-Hydroxy-3-oxo-androsta-1,4-diene-17b-carboxylic Acid
  • 75448-51-0
  • 11beta-Hydroxy-3-oxo-androsta-1,4-diene-17beta-carboxylic Acid
  • Androsta-1,4-diene-17-carboxylic acid, 11-hydroxy-3-oxo-, (11ss,17ss)-
  • Androsta-1,4-diene-17ss-carboxylic acid, 11ss-hydroxy-3-oxo- (6CI)
  • (11ss,17ss)-11-Hydroxy-3-oxoandrosta-1,4-diene-17-carboxylic acid
  • 11ss-Hydroxy-3-oxo-androsta-1,4-diene-17ss-carboxylic acid
  • XBC5NYS5SZ
  • Prednisolone Impurity N6
  • Prednisolone Impurity 104
  • A-Hydroxy-3-oxo-androsta-1,4-diene-17

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