1-Androstene-3B-ol,17-one

C₁₉H₂₈O₂CAS 76822-24-7288.43 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₁₉H₂₈O₂
Molar mass: 288.43 g/mol
Exact mass: 288.2089 Da
logP: 3.74Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0
Stereocentres: S, S, R, S, Rin 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

76822-24-7

SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4[C@@]3(C=CC(C4)O)C

InChIKey

DYMROBVXGSLPAY-OFLQVFCSSA-N

InChI

InChI=1S/C19H28O2/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/h7,9,12-16,20H,3-6,8,10-11H2,1-2H3/t12?,13?,14-,15-,16-,18-,19-/m0/s1

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Work with 1-Androstene-3B-ol,17-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

5α-Androst-1-ene-3β,17β-diol5323-27-356 % similar Epiandrosterone481-29-855 % similar Androsterone53-41-855 % similar Etiocholanolone53-42-955 % similar 5α-Androst-2-en-17-one963-75-751 % similar Formestane566-48-347 % similar 3β-Acetoxy-5α-androstan-17-one1239-31-246 % similar Androstenedione63-05-846 % similar

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

Same formula

MENT3764-87-2 Epitestosterone481-30-1 Methylnortestosterone514-61-4 Dehydroepiandrosterone53-43-0 4-Dehydroepiandrosterone571-44-8 Testosterone58-22-0 1-Testosterone65-06-5 Androstanedione846-46-8

Elsewhere

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