Basic information
- CAS
4033-95-8- Standard SMILES
C[C@]12CC(=CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
DKCLFTBKKHWBQS-YNZDMMAESA-N- Molecular formula
- C20H30O3
- Average molar mass
- 318.4 g/mol
- Monoisotopic mass
- 318.21949481
Names & identifiers
- Preferred name
- (5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one
- IUPAC
- (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-2-(hydroxymethylidene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
- English name
- 5.alpha.-Androstan-3-one, 17.beta.-hydroxy-2-(hydroxymethylene)-
- Molecular formula
- C20H30O3
- Molecular weight
- 318.45
Names & synonyms
Q8G15K9IYT4033-95-8NSC-2376817-Hydroxy-2-(hydroxymethylene)androstan-3-oneAndrostan-3-one, 17-hydroxy-2-(hydroxymethylene)-, (5alpha,17beta)-RefChem:90618917 beta-hydroxy-2-(hydroxymethylene)-5 alpha-androstan-3-one(5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one4,5alpha-Dihydro-2-(hydroxymethylene)testosterone4,5a-Dihydro-2-(hydroxymethylene)testosterone5alpha,17beta)-17-Hydroxy-2-(hydroxymethylene)androstan-3-one; 17beta-Hydroxy-2-hydroxymethylene-5alpha-androstan-3-one; 2-(Hydroxymethylene)dihydrotestosterone; 17beta-Hydroxy-2-(hydroxymethylene)-5alpha-androstan-3-one; (5alpha,17beta)-17-hydroxy-2-(hydroxymethylene)-UNII-Q8G15K9IYT
Show more names
4,5α-Dihydro-2-(hydroxymethylene)testosterone5.alpha.-Androstan-3-one, 17.beta.-hydroxy-2-(hydroxymethylene)-
DTXSID701018641NSC 23768AKOS0302550712-Hydroxymethylene-dihydro-testosterone2-(HYDROXYMETHYLENE)DIHYDROTESTOSTERONETestosterone, 4,5alpha-dihydro-2-(hydroxymethylene)-17beta-Hydroxy-2-(hydroxymethylene)-5alpha-androstan-3-one4,5.ALPHA.-DIHYDRO-2-(HYDROXYMETHYLENE)TESTOSTERONE
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 553
Physicochemical properties
- Melting point
- 118 · 118-121 °C
- Boiling point
- 464.735 · 464.735±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.198 · 1.198±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.278 · 5.278±0.70(predicted)
- FDA UNII
- 8 G15K9IYT · Q8G15K9IYT
Chemistry & industry
Applications
Uses4,5a-Dihydro-2-(hydroxymethylene)testosterone is an urinary metabolite of stanozolol (S684500).
Upstream & downstream products
Upstream raw materials
Suppliers1 total
上海甄准生物科技有限公司15800340161 · [email protected]
Additional notes
DefinitionChEBI: 4,5alpha-Dihydro-2-(hydroxymethylene)testosterone is a 3-oxo-5alpha-steroid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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