Chemical identity

Aldosterone 21-Acetate / Aldosterone 21-Monoacetate

CAS 2827-21-6 · C23H30O6

01Identity

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

Lazychem IDLC-05346
PubChem CID71313076
NameAldosterone 21-Acetate / Aldosterone 21-Monoacetate
CAS RN2827-21-6
Molecular formulaC23H30O6
Molecular weight402.48 g/mol
IUPAC name2-((1S,3aR,4S,6aS,6bS,12aR,12bS)-3-hydroxy-12a-methyl-10-oxo-1,3,4,5,6,6a,6b,7,8,10,11,12,12a,12b-tetradecahydro-1,3a-methanocyclopenta[c]naphtho[2,1-e]oxepin-4-yl)-2-oxoethyl acetate
InChIKeyJUHQUIOIVOVZQG-XNEAOMTKSA-N

02Structure identifiers

2D structurePubChem CID 71313076
Two-dimensional chemical structure of Aldosterone 21-Acetate / Aldosterone 21-Monoacetate, CAS 2827-21-6
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aliphatic carbon, has 7 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres7
Unassigned stereocentres1
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OCC(=O)[C@H]1CC[C@@H]2[C@]13C[C@@H]([C@H]4[C@H]2CCC5=CC(=O)CC[C@]45C)OC3O
InChINot listed
Formula from structureC23H30O6
Molecular weight from structure402.48 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 2827-21-6 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 2827-21-6 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

Aldosterone

View API and impurity family

Other names

  • Aldosterone 21-Acetate
  • Aldosterone 21-Monoacetate
  • 2827-21-6
  • [2-[(1R,2S,5S,6S,14R,15S,16S)-18-hydroxy-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.01,5.06,15.09,14]nonadec-9-en-2-yl]-2-oxoethyl] acetate
  • (11beta)-21-(Acetyloxy)-11,18-epoxy-18-hydroxy-pregn-4-ene-3,20-dione
  • DTXSID30746969
  • 4-PREGNEN-11-BETA, 21-DIOL-3,18,20-TRIONE 21-ACETATE
  • (11alpha)-18-Hydroxy-3,20-dioxo-11,18-epoxypregn-4-en-21-yl acetate
  • 18-Hydroxy-3,20-dioxo-11alpha-11,18-epoxypregn-4-en-21-yl acetate

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