chempirical

4-Dehydroepiandrosterone

C19H28O2CAS 571-44-8288.43 g/mol

Open in Covalent MOL file
OHO
AlcoholAlkeneKetone

Properties

Molecular formula
C19H28O2
Molar mass
288.43 g/mol
Exact mass
288.2089 Da
Melting point
135–137 °C
logP
3.88Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0
Stereocentres
R, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
571-44-8
SMILES
C[C@]12CC[C@H](O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChIKey
VMYTXBKVYDESSJ-USOAJAOKSA-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/h11,13-16,20H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Androst-4-en-17-one, 3-hydroxy-, (3β)-
  • Androst-4-en-17-one, 3β-hydroxy-
  • (3β)-3-Hydroxyandrost-4-en-17-one
  • 3β-Hydroxy-4-androstenone
  • 3β-Hydroxyandrost-4-en-17-one
  • 4-Androsten-3β-ol-17-one

Work with 4-Dehydroepiandrosterone

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

Androstenedione63-05-864 % similar 4-Androstenediol1156-92-963 % similar Androsta-4,16-dien-3β-ol23062-06-862 % similar 19-Hydroxyandrostenedione510-64-556 % similar Androsta-1,4-diene-3,17-dione897-06-355 % similar Formestane566-48-353 % similar 7α-Hydroxy-dhea53-00-953 % similar Epiandrosterone481-29-850 % 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 Testosterone58-22-0 1-Testosterone65-06-5 Androstanedione846-46-8

Elsewhere

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