Basic information
- CAS
5197-22-8- Standard SMILES
C[C@@H]1C[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O- InChIKey
QLPXACPMYLBLST-BRRPRDELSA-N- Molecular formula
- C21H32O2
- Average molar mass
- 316.5 g/mol
- Monoisotopic mass
- 316.24023026
Overview
17alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one is a 3-hydroxy steroid. It has a role as an androgen.
Names & identifiers
- Preferred name
- 2alpha,17-Dimethyl testosterone
- IUPAC
- (2R,8R,9S,10R,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Names & synonyms
2alpha,17-Dimethyl testosteroneS49RDR6AGW5197-22-8UNII-S49RDR6AGWNSC 1219917alpha,2alpha-Dimethyl-17beta-hydroxy-4-androsten-3-one17beta-Hydroxy-2alpha,17-dimethyl-4-androsten-3-oneAndrost-4-en-3-one,17beta-hydroxy-2alpha,17-dimethyl-Androst-4-en-3-one, 17-hydroxy-2,17-dimethyl-, (2alpha,17beta)-2alpha,17-DimethyltestosteroneCHEBI:79841DTXSID60966294
Show more names
NSC12199(2R,8R,9S,10R,13S,14S,17S)-17-hydroxy-2,10,13,17-tetramethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one2.ALPHA.,17-DIMETHYL TESTOSTERONE17-hydroxy-2,17-dimethylandrost-4-en-3-oneQ2714897917beta-Hydroxy-2alpha,17alpha-dimethylandrost-4-en-3-one17.BETA.-HYDROXY-2.ALPHA.,17-DIMETHYL-4-ANDROSTEN-3-ONEANDROST-4-EN-3-ONE,17.BETA.-HYDROXY-2.ALPHA.,17-DIMETHYL-
Database identifiers
- CAS
5197-22-8- PubChem CID
- 224005
- DTXSID
DTXSID60966294- ChEBI
CHEBI:79841- UNII
- S49RDR6AGW
- Nikkaji
- J2.793.896E
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 578
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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