Dihydrotestosterone
Athanor · official
C19H30O2 · 290.4 g/mol
IUPAC name: (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
Also called DHT, stanolone, androstanolone
Names and identifiers
- IUPAC name
- (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
- Synonyms
- DHT, stanolone, androstanolone
+ 38 more
STANOLONE, Androstanolone, Anabolex, Andractim, Androlone, Neodrol, 4-Dihydrotestosterone, Anaboleen, Proteina, Stanaprol, Protona, 5alpha-Dihydrotestosterone, Cristerona MB, 17beta-Hydroxy-5alpha-androstan-3-one, Androstanolona, 5alpha-Androstan-17beta-ol-3-one, 5-alpha-Dihydrotestosterone, Testosterone, dihydro-, 4,5alpha-Dihydrotestosterone, Androstanolonum, 5alpha-DHT, Androstalone, Dihydrotestosteron, 17beta-Hydroxy-3-androstanone, Androstan-17beta-ol-3-one, 5alpha,17beta-Hydroxyandrostan-3-one, DTXSID9022364, dihydrotestosterone (dht), NSC-10972, CHEBI:16330, 08J2K08A3Y, (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one, Androstan-3-one, 17-hydroxy-, (5alpha,17beta)-, 17beta-Hydroxy-5alpha-androstane-3-one, DTXCID202364, (5alpha,17beta)-17-hydroxyandrostan-3-one, NSC10972, (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta(a)phenanthren-3-one
- Molecular formula
- C19H30O2
- Empirical formula
- C19H30O2
- Molecular weight
- 290.4 g/mol
- Exact mass
- 290.22458
- CAS number
- 521-18-6
- PubChem CID
- 10635
- Canonical SMILES
- CC12CCC(=O)CC1CCC3C2CCC4(C3CCC4O)C
- Isomeric SMILES
- C[C@]12CCC(=O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@H]4O)C
- InChI
- InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1
- InChIKey
- NVKAWKQGWWIWPM-ABEVXSGRSA-N
- Molfile
Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.
Calculated
- Heavy atoms
- 21
- Rings
- 4
- Aromatic rings
- 0
- Fraction sp³ carbons (Fsp3)
- 0.95
- H-bond donors
- 1
- H-bond acceptors
- 2
- Rotatable bonds
- 0
- TPSA (Ų)
- 37.3
- Formal charge
- 0
- XLogP3
- 3.7 PubChem
- Complexity
- 458 PubChem
- Stereocenters
- 7 definedCIP: C2: S · C5: S · C6: R · C9: S · C15: S · C17: S · C20: S
- Double-bond geometry
- None specified
- Point group
- C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)
Elemental analysis
- C78.57%
- H10.41%
- O11.02%
Isotope pattern
Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.
Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.
Predicted
- log P
- 3.96 Crippen (Wildman and Crippen 1999)
- log S (water solubility)
- -4.14 ESOL (Delaney 2004), log mol/L
- Synthetic accessibility
- 3.99 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)
Drug-likeness: Lipinski’s rule of five
- Molecular weight ≤ 500: 290.45
- log P ≤ 5 (Crippen): 3.96
- H-bond donors ≤ 5: 1
- H-bond acceptors ≤ 10: 2
Passes all four rules.
¹³C NMR shifts, predicted
Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.
Safety
Danger
Most widely reported: 60 company reports to ECHA. Source [1].
Health hazard
- H351Suspected of causing cancer (98.3% of reports)
- H360May damage fertility or the unborn child (95% of reports)
Precautionary statements: P203, P280, P318, P405, P501
Always read the supplier’s safety data sheet before working with it.
Spectra
- 1H NMRSpectraBase (Varian CFT-20)
- 13C NMRHuman Metabolome Database (HMDB) (50.18 MHz · CDCl3) · SpectraBase
- GC-MSHuman Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · Human Metabolome Database (HMDB) (EI-B · positive) · MassBank of North America (MoNA) (HITACHI RMU-6E · EI-B · positive) · MassBank of North America (MoNA) (HITACHI M-80 · EI-B · positive) · MassBank of North America (MoNA) (HITACHI M-80 · EI-B · positive)
- MS-MSHuman Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive) · Human Metabolome Database (HMDB) (Positive)
- LC-MSMassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE) · MassBank Europe (Bruker maXis Impact · LC-ESI-QTOF · POSITIVE)
- Other MSMassBank Europe (HITACHI RMU-6E · EI-B · POSITIVE) · MassBank Europe (HITACHI M-80 · EI-B · POSITIVE) · MassBank of North America (MoNA) (Agilent 6560 · positive) · MassBank of North America (MoNA) (Agilent 6560 · positive)
- FTIRSpectraBase (KBr WAFER)
- ATR-IRSpectraBase (Bio-Rad FTS · ATR-Neat (DuraSamplIR II) ground)
- RamanSpectraBase (Bruker MultiRAM Stand Alone FT-Raman Spectrometer · FT-Raman)
Experimental spectra held by these sources; each link opens the source's own record.
Literature
Reading PubChem, OpenAlex and GSRS…
Bioactivity
Reading ChEMBL…
References
- [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
- [2]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
- [3]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
- [4]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
- [5]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
- [6]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
- ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
- ·Literature on PubChem
Data last updated 2026-10-14.
