2D structurePubChem CID 144112743
Chemical identity
3,11-Dioxoandrosta analog
CAS 80699-76-9 · C20H24O4
01Identity
Identifiers and names for this exact compound. Empty fields are left unassigned.
| Lazychem ID | LC-02742 |
|---|---|
| PubChem CID | 144112743 |
| Name | 3,11-Dioxoandrosta analog |
| CAS RN | 80699-76-9 |
| Molecular formula | C20H24O4 |
| Molecular weight | 328.4 g/mol |
| IUPAC name | (8S,9S,10R,13S,14S,17S)-10,13-dimethyl-3,11-dioxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-17-carboxylic acid |
| InChIKey | GTLUJLFMGRNZFU-UHFFFAOYSA-N |
02Structure identifiers
2D structurePubChem CID 144112743
Structure facts for this exact identity.
| Molecular formula | C20H24O4 |
|---|---|
| InChIKey | GTLUJLFMGRNZFU-UHFFFAOYSA-N |
| Ring count | 4 |
| Defined stereocentres | 0 |
| Unassigned stereocentres | 6 |
| SMILES | CC12CC(=O)C3C(C1CCC2C(=O)O)CCC4=CC(=O)C=CC34C |
|---|---|
| InChI | InChI=1S/C20H24O4/c1-19-8-7-12(21)9-11(19)3-4-13-14-5-6-15(18(23)24)20(14,2)10-16(22)17(13)19/h7-9,13-15,17H,3-6,10H2,1-2H3,(H,23,24) |
03Stereochemistry
The published structure contains 0 defined and 6 unassigned tetrahedral stereocentres. The exact wedge-and-dash depiction is shown above.
Defined stereocentres02D structure
Unassigned stereocentres62D structure
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 64Before symmetry reduction
Published same-connectivity configurations
1 recordThese 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 / RCS | NOT FOUND IN REVIEWED ENTRIES | CAS 80699-76-9 was not found in the reviewed exact-identity entries. Generic, class, analogue, salt and isomer provisions were not evaluated. |
|---|---|---|
| SCOMET | NOT FOUND IN REVIEWED CAS ENTRIES | CAS 80699-76-9 was not found in the reviewed exact-CAS mapping. Generic and analogue entries were not evaluated. |
- Narcotic Drugs and Psychotropic Substances Act, 1985, ScheduleDepartment of Revenue, Government of India · source version 1985-09-16
- Controlled-substances notifications and amendmentsDepartment of Revenue, Government of India · source version 2026-03-11
- Appendix 3, SCOMET ListDirectorate General of Foreign Trade, Government of India · source version 2024-09-02
05Names and relationships
Associated parent compound
Prednisone
View API and impurity familyOther names
No synonyms are listed.
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
- S01PubChem compound record, CID 144112743
Names and machine-readable chemical identity properties.
- S02NCBI website and molecular data policies
Reuse policy for NCBI molecular data. This page does not reproduce vendor descriptions or contributed narrative text.
- S03Narcotic Drugs and Psychotropic Substances Act, 1985, Schedule
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S04Controlled-substances notifications and amendments
Department of Revenue, Government of India. Used for the exact-compound India status shown on this page.
- S05Appendix 3, SCOMET List
Directorate General of Foreign Trade, Government of India. Used for the exact-compound India status shown on this page.