Chemical identity

3-Oxo-4-androsten-17beta-carboxylic acid / Etienic acid

CAS 302-97-6 · C20H28O3

01Identity

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

Lazychem IDLC-02665
PubChem CID99472
Name3-Oxo-4-androsten-17beta-carboxylic acid / Etienic acid
CAS RN302-97-6
Molecular formulaC20H28O3
Molecular weight316.43 g/mol
IUPAC name3-Oxo-4-androsten-17beta-carboxylic acid
InChIKeyYQACAXHKQZCEOI-UDCWSGSHSA-N

02Structure identifiers

2D structurePubChem CID 99472
2D structure: 3-Oxo-4-androsten-17beta-carboxylic acid / Etienic acid, CAS 302-97-6
Structure of 3-Oxo-4-androsten-17beta-carboxylic acid / Etienic acid (CAS 302-97-6). LazyChem record. Source identity: PubChem CID 99472. Confirm the identifiers before analytical use.Download structure image

Structure facts for this exact identity.

Molecular formulaC20H28O3
InChIKeyYQACAXHKQZCEOI-UDCWSGSHSA-N
Ring count4
Defined stereocentres6
Unassigned stereocentres0
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)O)CCC4=CC(=O)CC[C@]34C
InChIInChI=1S/C20H28O3/c1-19-9-7-13(21)11-12(19)3-4-14-15-5-6-17(18(22)23)20(15,2)10-8-16(14)19/h11,14-17H,3-10H2,1-2H3,(H,22,23)/t14-,15-,16-,17+,19-,20-/m0/s1

03Stereochemistry

The published structure contains 6 defined and 0 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.

Defined stereocentres62D structure
Unassigned stereocentres02D structure
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 64Before 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 / RCSNOT FOUND IN REVIEWED ENTRIESCAS 302-97-6 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated.
SCOMETNOT FOUND IN REVIEWED CAS ENTRIESCAS 302-97-6 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated.

05Names and relationships

Associated parent compound

Finasteride

View API and impurity family

Other names

  • Etienic acid
  • 4-Androsten-3-one-5-ene-17-carboxylic acid
  • 3-Keto-4-etiocholenic acid
  • (8S, 9S, 10R, 13S, 14S, 17S)-10, 13-dimethyl-3-oxo-1, 2, 6, 7, 8, 9, 11, 12, 14, 15, 16, 17-dodecahydrocyclopenta[a]phenanthrene-17-carboxylic acid

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