17β-Acetoxyandrosta-1,4-dien-3-one

C₂₁H₂₈O₃CAS 2363-59-9328.45 g/mol

Open in Covalent MOL file

Alkene Ester Ketone

Properties

Molecular formula: C₂₁H₂₈O₃
Molar mass: 328.45 g/mol
Exact mass: 328.2038 Da
Melting point: 149–151 °C
logP: 4.23Crippen estimate
Polar surface area: 43.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1
Stereocentres: S, S, R, R, S, Sin SMILES atom order

Hazards

Warning

H351 Suspected of causing cancer100% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P260, P280, P318, P319, P405, P501

Identifiers

CAS number

2363-59-9

SMILES

CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

InChIKey

KPCDGGNHYODURF-PXQJOHHUSA-N

InChI

InChI=1S/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3/t16-,17-,18-,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

6 names

Androsta-1,4-dien-3-one, 17-(acetyloxy)-, (17β)-
Androsta-1,4-dien-3-one, 17β-hydroxy-, acetate
(17β)-17-(Acetyloxy)androsta-1,4-dien-3-one
1-Dehydrotestosterone acetate
1,2-Didehydrotestosterone 17-O-acetate
Boldenone acetate

Work with 17β-Acetoxyandrosta-1,4-dien-3-one

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

Boldenone propionate977-32-276 % similar ((8R,9S,10R,13S,14S,17S)-10,13-Dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta(a)phenanthren-17-yl) 3-cyclopentylpropanoate106505-90-272 % similar Equipoise13103-34-968 % similar Boldenone846-48-067 % similar Testosterone 17-acetate1045-69-861 % similar Androsta-1,4-diene-3,17-dione897-06-355 % similar Testolactone968-93-455 % similar Methandrostenolone72-63-953 % similar

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

Same formula

16Alpha,17alpha-Epoxyprogesterone1097-51-4 Pregn-4-ene-3,11,20-trione516-15-4 Nomegestrol58691-88-6 Methyl 13-cis-4-Oxoretinoate71748-57-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook