chempirical

Etiocholanolone

C19H30O2CAS 53-42-9290.45 g/mol

Open in Covalent MOL file
OHO
AlcoholKetone

Properties

Molecular formula
C19H30O2
Molar mass
290.45 g/mol
Exact mass
290.2246 Da
Melting point
138.5–139.5 °C
logP
3.96Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
S, R, R, R, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
53-42-9
SMILES
C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
QGXBDMJGAMFCBF-BNSUEQOYSA-N
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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14+,15+,16+,18+,19+/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

14 names · show all
  • Androstan-17-one, 3-hydroxy-, (3α,5β)-
  • 5β-Androstan-17-one, 3α-hydroxy-
  • (3α,5β)-3-Hydroxyandrostan-17-one
  • 5β-Androstan-3α-ol-17-one
  • 5β-Androsterone
  • 3α-Hydroxy-5β-androstane-17-one
  • 3α-Hydroxy-5β-androstan-17-one
  • 5-Isoandrosterone
  • Etiocholan-3α-ol-17-one
  • Aetiocholanolone
  • 3α-Etiocholanolone
  • 5β-Androstane-3α-ol-17-one
  • NSC 50908
  • α-Etiocholanolone

Work with Etiocholanolone

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Epiandrosterone481-29-8Diastereomer Androsterone53-41-8Diastereomer

Similar compounds

3β-Acetoxy-5α-androstan-17-one1239-31-265 % similar Androstanedione846-46-864 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-160 % similar Isopregnanolone516-55-260 % similar 5α-Androst-2-en-17-one963-75-760 % similar 3α-Androstanediol1852-53-558 % similar 5Alpha-Androstane-3beta,17beta-diol571-20-058 % similar Lithocholic acid434-13-957 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Androstenediol1156-92-9 p-Dodecyloxybenzaldehyde24083-19-0 Androstenediol521-17-5 Dihydrotestosterone521-18-6 5α-Androst-1-ene-3β,17β-diol5323-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook