5α-Androst-1-ene-3β,17β-diol

C₁₉H₃₀O₂CAS 5323-27-3290.45 g/mol

Open in Covalent MOL file

Alcohol Alkene

Properties

Molecular formula: C₁₉H₃₀O₂
Molar mass: 290.45 g/mol
Exact mass: 290.2246 Da
Melting point: 154–156 °C
logP: 3.53Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 0
Stereocentres: R, R, S, R, S, S, S, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5323-27-3

SMILES

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

InChIKey

RZFGPAMUAXASRE-YSZCXEEOSA-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/h7,9,12-17,20-21H,3-6,8,10-11H2,1-2H3/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

2 names

Androst-1-ene-3,17-diol, (3β,5α,17β)-
(3β,5α,17β)-Androst-1-ene-3,17-diol

Work with 5α-Androst-1-ene-3β,17β-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

Similar compounds

1-Testosterone65-06-560 % similar 1-Androstene-3B-ol,17-one76822-24-756 % similar 3α-Androstanediol1852-53-556 % similar 5Alpha-Androstane-3beta,17beta-diol571-20-056 % similar Methenolone153-00-445 % similar 1α-Methyl-5α-androstan-17β-ol-3-one1424-00-645 % similar Bolandiol19793-20-543 % similar Clostebol1093-58-942 % similar

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

Same formula

4-Androstenediol1156-92-9 p-Dodecyloxybenzaldehyde24083-19-0 Epiandrosterone481-29-8 Androstenediol521-17-5 Dihydrotestosterone521-18-6 Androsterone53-41-8 Etiocholanolone53-42-9

Elsewhere

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