Chemical identity

11,20-Dihydroxy-3-oxo-4-pregnen-21-oic acid

CAS 75879-79-7 · C21H30O5

01Identity

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

Lazychem IDLC-16673
PubChem CID15160136
Name11,20-Dihydroxy-3-oxo-4-pregnen-21-oic acid
CAS RN75879-79-7
Molecular formulaC21H30O5
Molecular weight362.47 g/mol
IUPAC name(S)-2-hydroxy-2-((8S,9S,10R,11S,13S,14S,17S)-11-hydroxy-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)acetic acid
InChIKeyNCZRCNAAHNGILW-WVQAOHMYSA-N

02Structure identifiers

2D structurePubChem CID 15160136
Two-dimensional chemical structure of 11,20-Dihydroxy-3-oxo-4-pregnen-21-oic acid, CAS 75879-79-7
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 stereocentres1
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@H]4C(C(=O)O)O)C)O
InChINot listed
Formula from structureC21H30O5
Molecular weight from structure362.47 g/mol

03Stereochemistry

The published structure contains 7 defined and 1 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres7Structure assigned
Unassigned centres1Structure unspecified
Assignment statusPartially assignedExact published identity
Tetrahedral upper bound≤ 256Before 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 75879-79-7 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 75879-79-7 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

Hydrocortisone

View API and impurity family

Other names

  • Hydrocortisone Impurity 46 (Mixture of Diastereomers)
  • 11,20-Dihydroxy-3-oxo-4-pregnen-21-oic acid
  • 75879-79-7
  • RefChem:77759
  • 20-Dihydro-corticosterone 21-Carboxylic Acid
  • Pregn-4-en-21-oic acid, 11,20-dihydroxy-3-oxo-, (11beta)-
  • Pregn-4-en-21-oic acid, 11,20-dihydroxy-3-oxo-, (11ss)-
  • (11ss)-11,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
  • 11ss,20-Dihydroxy-3-oxopregn-4-en-21-oic acid
  • 20-Dihydrocorticosterone-21-carboxylic acid
  • LMST02030223

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