chempirical

3β-Androstanediol

C19H32O2CAS 571-20-0292.46 g/mol

Open in Covalent MOL file
OHHO
Alcohol

Properties

Molecular formula
C19H32O2
Molar mass
292.46 g/mol
Exact mass
292.2402 Da
Melting point
161 °C
logP
3.75Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0
Stereocentres
S, S, S, R, S, S, S, Sin SMILES atom order

Identifiers

CAS number
571-20-0
SMILES
C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChIKey
CBMYJHIOYJEBSB-YSZCXEEOSA-N
InChI
InChI=1S/C19H32O2/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/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,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

8 names
  • Androstane-3,17-diol, (3β,5α,17β)-
  • 5α-Androstane-3β,17β-diol
  • (3β,5α,17β)-Androstane-3,17-diol
  • 3β,17β-Androstanediol
  • 3β,17β-Dihydroxy-5α-androstane
  • NSC 50891
  • Maxterone
  • 3β-Adiol

Work with 3β-Androstanediol

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-Hydroxy-5α-pregnan-20-one516-54-163 % similar Isopregnanolone516-55-263 % similar Cholestanol80-97-762 % similar 5α-Androst-16-en-3α-ol1153-51-161 % similar Dihydrotestosterone521-18-659 % similar Epiandrosterone481-29-858 % similar Androsterone53-41-858 % similar Etiocholanolone53-42-958 % similar

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

Same formula

3α-Androstanediol1852-53-5 Methyl linolenate301-00-8

Elsewhere

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