Epiandrosterone

C₁₉H₃₀O₂CAS 481-29-8290.45 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₃₀O₂
Molar mass: 290.45 g/mol
Exact mass: 290.2246 Da
Melting point: 178 °C
logP: 3.96Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: S, S, S, R, S, S, Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed39.1% of notifiers
H312 Harmful in contact with skin39.1% of notifiers
H332 Harmful if inhaled39.1% of notifiers
H351 Suspected of causing cancer39.1% of notifiers
H361 Suspected of damaging fertility or the unborn child91.3% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, P501

Identifiers

CAS number

481-29-8

SMILES

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

InChIKey

QGXBDMJGAMFCBF-LUJOEAJASA-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/h12-16,20H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

22 names · show all

Androstan-17-one, 3-hydroxy-, (3β,5α)-
5α-Androstan-17-one, 3β-hydroxy-
(3β,5α)-3-Hydroxyandrostan-17-one
Epi-Androsterone
trans-Androsterone
3β-Androsterone
d-Epiandrosterone
3β-Hydroxy-5α-androstan-17-one
3β-Hydroxyetioallocholan-17-one
3β-Hydroxy-17-oxo-5α-androstane
Isoandrosterone
5α-Androstan-3β-ol-17-one
3-Epiandrosterone
3β-Hydroxy-5α-androstane-17-one
Androsterone, trans-
Androsterone, epi-
iso-Androsterone
3β-OH-5α-Androstane-17-one
5α-Androstane-3β-ol-17-one
3β-Hydroxyandrostan-17-one
NSC 93996
5α-Androstan-17-one-3β-ol

Work with Epiandrosterone

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.

Androsterone53-41-8Diastereomer Etiocholanolone53-42-9Diastereomer

Similar compounds

3β-Acetoxy-5α-androstan-17-one1239-31-265 % similar Androstanedione846-46-864 % similar 3α-Hydroxy-5α-pregnan-20-one516-54-160 % similar Isopregnanolone516-55-260 % similar 5α-Androst-2-en-17-one963-75-760 % similar 3α-Androstanediol1852-53-558 % similar 5Alpha-Androstane-3beta,17beta-diol571-20-058 % similar Lithocholic acid434-13-957 % similar

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

Same formula

4-Androstenediol1156-92-9 p-Dodecyloxybenzaldehyde24083-19-0 Androstenediol521-17-5 Dihydrotestosterone521-18-6 5α-Androst-1-ene-3β,17β-diol5323-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook