Chemical identity

21-Hydroxypregna-1,4,16-triene-3,11,20-trione

CAS 102447-86-9 · C21H24O4

01Identity

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

Lazychem IDLC-04316
PubChem CID71749275
Name21-Hydroxypregna-1,4,16-triene-3,11,20-trione
CAS RN102447-86-9
Molecular formulaC21H24O4
Molecular weight340.41 g/mol
IUPAC name21-Hydroxypregna-1,4,16-triene-3,11,20-trione
InChIKeyXGGXLIOJOJRVKD-PKTBXOATSA-N

02Structure identifiers

2D structurePubChem CID 71749275
Two-dimensional chemical structure of 21-Hydroxypregna-1,4,16-triene-3,11,20-trione, CAS 102447-86-9
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 5 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres5
Unassigned stereocentres0
Ring count4
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESC[C@]12CC(=O)[C@H]3[C@H]([C@@H]1CC=C2C(=O)CO)CCC4=CC(=O)C=C[C@]34C
InChINot listed
Formula from structureC21H24O4
Molecular weight from structure340.41 g/mol

03Stereochemistry

The published structure contains 5 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 32Before 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 102447-86-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 102447-86-9 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

Prednisone

View API and impurity family

Other names

  • (8S, 9S, 10R, 13S, 14S)-17-(2-hydroxyacetyl)-10, 13-dimethyl-7, 8, 9, 12, 14, 15-hexahydro-6H-cyclopenta[a]phenanthrene-3, 11-dione
  • 16-Dehydro 17-Dehydroxy Prednisone

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