Chemical identity

3-alpha-Hydroxy Desogestrel

CAS 70805-84-4 · C22H30O2

01Identity

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

Lazychem IDLC-02427
PubChem CID29981456
Name3-alpha-Hydroxy Desogestrel
CAS RN70805-84-4
Molecular formulaC22H30O2
Molecular weight326.48 g/mol
IUPAC name(3R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylene-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol
InChIKeyZMLDTNLDYRJTAZ-JASYKLOUSA-N

02Structure identifiers

2D structurePubChem CID 29981456
Two-dimensional chemical structure of 3-alpha-Hydroxy Desogestrel, CAS 70805-84-4
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
SMILESCC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=C[C@@H](CC[C@H]34)O
InChINot listed
Formula from structureC22H30O2
Molecular weight from structure326.48 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

2 records

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.

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 70805-84-4 has no exact match in the reviewed published schedule.
SCOMETNO EXACT REVIEWED CAS MATCHCAS 70805-84-4 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

Desogestrel

View API and impurity family

Other names

  • 3-alpha-Hydroxy Desogestrel / Desogestrel Impurity 2
  • 3-alpha-Hydroxy Desogestrel
  • Desogestrel Impurity 2
  • 70805-84-4
  • UNII-5B0JZH6AB6
  • 5B0JZH6AB6
  • 18,19-Dinorpregn-4-en-20-yne-3,17-diol, 13-ethyl-11-methylene-, (3alpha,17alpha)-
  • RefChem:198416
  • (3R,8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-11-methylidene-1,2,3,6,7,8,9,10,12,14,15,16-dodecahydrocyclopenta[a]phenanthrene-3,17-diol
  • NS00116790
  • Q27261763

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