5Alpha-Androstane-3beta,17beta-diol

C₁₉H₃₂O₂CAS 571-20-0292.46 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: S, S, S, R, S, S, S, Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation97.4% of notifiers
H319 Causes serious eye irritation97.4% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

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

9 names

3β-Androstanediol
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 5Alpha-Androstane-3beta,17beta-diol

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.

3α-Androstanediol1852-53-5Diastereomer

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

Methyl linolenate301-00-8

Elsewhere

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