17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
Basic information
- CAS
601-16-1- Standard SMILES
C[C@]12CC(C=O)=CC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12- InChIKey
QKKCZNAIRYQRKP-WDCLZLQXSA-N- Molecular formula
- C20H30O2
- Average molar mass
- 302.5 g/mol
- Monoisotopic mass
- 302.2245802
Overview
17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde is a steroid aldehyde and an androstanoid.
Names & identifiers
- Preferred name
- 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde
- IUPAC
- (5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
- English name
- (5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12 ,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
- Molecular formula
- C20H30O2
- Molecular weight
- 302.45
Names & synonyms
601-16-117beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehydeNSC65889NSC-65889(5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehydeNSC 658892-Formyl-5-alpha-androst-2-en-17-beta-ol17-beta-Hydroxy-5-alpha-androst-2-ene-2-carboxaldehyde5-alpha-ANDROST-2-ENE-2-CARBOXALDEHYDE, 17-beta-HYDROXY-VG5M2WRK4FCHEBI:79540DTXSID301231067
Show more names
Androst-2-ene-2-carboxaldehyde, 17-hydroxy-, (5α,17β)-(5S,8S,9S,10S,13S,14S,17S)-17-hydroxy-10,13-dimethyl-4,5,6,7,8,9,11,12 ,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-2-carbaldehyde
17beta-Hydroxy-5alpha-androst-2-ene-2-carbaldehydeQ27148644(5alpha,17beta)-17-Hydroxyandrost-2-ene-2-carboxaldehyde(5I+/-,17I(2))-17-Hydroxyandrost-2-ene-2-carboxaldehyde17-Hydroxyandrost-2-ene-2-carboxaldehyde, (5alpha,17beta)-Androst-2-ene-2-carboxaldehyde, 17-hydroxy-, (5alpha,17beta)-
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 510
Chemistry & industry
Applications
DescriptionNSC-65889 is a hormone with reproductive effects.
Additional notes
DefinitionChEBI: 17beta-Hydroxy-5alpha-androst-2-ene-2-carboxaldehyde is an androstanoid and a steroid aldehyde.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…