chempirical

5α-Androst-16-en-3α-ol

C19H30OCAS 1153-51-1274.45 g/mol

Open in Covalent MOL file
OH
AlcoholAlkene

Properties

Molecular formula
C19H30O
Molar mass
274.45 g/mol
Exact mass
274.2297 Da
Melting point
142.75 °C
logP
4.56Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0
Stereocentres
S, R, S, R, S, R, Sin SMILES atom order

Identifiers

CAS number
1153-51-1
SMILES
C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12
InChIKey
KRVXMNNRSSQZJP-PHFHYRSDSA-N
InChI
InChI=1S/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14+,15-,16-,17-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Androst-16-en-3-ol, (3α,5α)-
  • (3α,5α)-Androst-16-en-3-ol
  • 3α-Hydroxy-5α-androst-16-ene
  • 3α-Hydroxyandrost-16-ene
  • E 281
  • NSC 71076

Work with 5α-Androst-16-en-3α-ol

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

3α-Androstanediol1852-53-561 % similar 3β-Androstanediol571-20-061 % similar Androstenone18339-16-758 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-153 % similar Isopregnanolone516-55-253 % similar Epiandrosterone481-29-852 % similar Androsterone53-41-852 % similar Etiocholanolone53-42-952 % similar

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

Same formula

1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene84540-32-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook