4-Androstenediol

C₁₉H₃₀O₂CAS 1156-92-9290.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₃₀O₂
Molar mass: 290.45 g/mol
Exact mass: 290.2246 Da
Melting point: 155.5 °C
logP: 3.67Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: S, S, R, S, R, S, Sin SMILES atom order

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H360 May damage fertility or the unborn child100% of notifiers

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

Precautionary statements

P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, P501

Identifiers

CAS number

1156-92-9

SMILES

C[C@]12CC[C@H]3[C@@H](CCC4=C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2O

InChIKey

BTTWKVFKBPAFDK-LOVVWNRFSA-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/h11,13-17,20-21H,3-10H2,1-2H3/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-4-ene-3,17-diol, (3β,17β)-
Androst-4-ene-3β,17β-diol
(3β,17β)-Androst-4-ene-3,17-diol
3β,17β-Dihydroxy-4-androstene
δ4-Androstene-3β,17β-diol
NSC 12458

Work with 4-Androstenediol

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

Epitestosterone481-30-165 % similar Testosterone58-22-065 % similar 4-Dehydroepiandrosterone571-44-863 % similar Androsta-4,16-dien-3β-ol23062-06-860 % similar Bolandiol19793-20-557 % similar Clostebol1093-58-952 % similar Boldenone846-48-051 % similar (3Alpha)-3-chloro-cholest-4-ene13901-10-548 % similar

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

Same formula

p-Dodecyloxybenzaldehyde24083-19-0 Epiandrosterone481-29-8 Androstenediol521-17-5 Dihydrotestosterone521-18-6 5α-Androst-1-ene-3β,17β-diol5323-27-3 Androsterone53-41-8 Etiocholanolone53-42-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook