Androst-4-ene-3,6,17-trione

C₁₉H₂₄O₃CAS 2243-06-3300.40 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₂₄O₃
Molar mass: 300.40 g/mol
Exact mass: 300.1725 Da
Melting point: 216–217 °C
logP: 3.27Crippen estimate
Polar surface area: 51.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 0
Stereocentres: R, R, S, S, Sin SMILES atom order

Identifiers

CAS number

2243-06-3

SMILES

C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12

InChIKey

PJMNEPMSGCRSRC-IEVKOWOJSA-N

InChI

InChI=1S/C19H24O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14H,3-8,10H2,1-2H3/t12-,13-,14-,18+,19-/m0/s1

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Names and synonyms

1 names

4-Androstene-3,6,17-trione

Work with Androst-4-ene-3,6,17-trione

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

6-Methyleneandrost-4-ene-3,17-dione19457-55-775 % similar Androstenedione63-05-865 % similar Z-Guggulsterone39025-23-556 % similar Guggulsterone95975-55-656 % similar (+)-Estr-4-ene-3,17-dione734-32-754 % similar 19-Hydroxyandrostenedione510-64-554 % similar Formestane566-48-351 % similar Exemestane107868-30-448 % similar

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

Same formula

Prallethrin23031-36-9 Adrenosterone382-45-6 Testolactone968-93-4

Elsewhere

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