chempirical

Androstane

C19H32CAS 438-22-2260.46 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C19H32
Molar mass
260.46 g/mol
Exact mass
260.2504 Da
Melting point
50.25 °C
logP
5.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0
Stereocentres
S, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
438-22-2
SMILES
C[C@@]12CCC[C@H]1[C@@H]1CC[C@H]3CCCC[C@]3(C)[C@H]1CC2
InChIKey
QZLYKIGBANMMBK-UGCZWRCOSA-N
InChI
InChI=1S/C19H32/c1-18-11-5-7-16(18)15-9-8-14-6-3-4-12-19(14,2)17(15)10-13-18/h14-17H,3-13H2,1-2H3/t14-,15+,16+,17+,18+,19+/m1/s1

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

Names and synonyms

8 names
  • Androstane, (5α)-
  • 5α-Androstane
  • (5α)-Androstane
  • Etioallocholane
  • 5α,14α-Androstane
  • Aetioallocholane
  • 5α-Androstan
  • NSC 49000

Work with Androstane

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

Similar compounds

5α-Cholestane481-21-052 % similar 3α-Androstanediol1852-53-538 % similar 3β-Androstanediol571-20-038 % similar Cholestanol80-97-735 % similar Dihydrotestosterone521-18-634 % similar 5α-Androst-16-en-3α-ol1153-51-133 % similar Androstanedione846-46-833 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-133 % similar

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

Same formula

Tridecylbenzene123-02-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook