Chemical identity

Androst-5-ene-3beta,17beta-diol 3-Acetate 17-Benzoate

CAS 5953-63-9 · C28H36O4

01Identity

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

Lazychem IDLC-06377
PubChem CID90990214
NameAndrost-5-ene-3beta,17beta-diol 3-Acetate 17-Benzoate
CAS RN5953-63-9
Molecular formulaC28H36O4
Molecular weight436.58 g/mol
IUPAC nameAndrostenediol 3-acetate 17-benzoate
InChIKeyJVRUDYNTKOCRNP-GHFVCZPUSA-N

02Structure identifiers

2D structurePubChem CID 90990214
Two-dimensional chemical structure of Androst-5-ene-3beta,17beta-diol 3-Acetate 17-Benzoate, CAS 5953-63-9
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

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

Defined stereocentres5
Unassigned stereocentres2
Ring count5
Secondary amines0
Tertiary amines0
N-methyl amine sites0
SMILESCC(=O)OC1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CCC4OC(=O)C5=CC=CC=C5)C)C
InChINot listed
Formula from structureC28H36O4
Molecular weight from structure436.58 g/mol

03Stereochemistry

The published structure contains 5 defined and 2 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.

Defined centres5Structure assigned
Unassigned centres2Structure unspecified
Assignment statusPartially 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 5953-63-9 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 5953-63-9 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

Testosterone

View API and impurity family

Other names

  • Skf 2895
  • 5953-63-9
  • Androst-5-ene-3.beta.,17.beta.-diol, 3-acetate benzoate
  • Androst-5-ene-3.beta.,17.beta.-diol, 3-acetate 17-benzoate
  • RefChem:203001
  • JVRUDYNTKOCRNP-GHFVCZPUSA-N
  • Androstenediol 3-acetate-17-benzoate
  • Androst-5-ene-3,17-diol, 3-acetate 17-benzoate, (3.beta.,17.beta.)-
  • 3-(Acetyloxy)androst-5-en-17-yl benzoate #

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