chempirical

Desogestrel

C22H30OCAS 54024-22-5310.48 g/mol

Open in Covalent MOL file
HO
AlcoholAlkeneAlkyne

Properties

Molecular formula
C22H30O
Molar mass
310.48 g/mol
Exact mass
310.2297 Da
Melting point
109–110 °C
logP
4.87Crippen estimate
Polar surface area
20.2 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1
Stereocentres
R, S, S, R, S, Sin SMILES atom order

Identifiers

CAS number
54024-22-5
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CCCC[C@@H]4[C@H]3C(=C)C[C@@]21CC
InChIKey
RPLCPCMSCLEKRS-BPIQYHPVSA-N
InChI
InChI=1S/C22H30O/c1-4-21-14-15(3)20-17-9-7-6-8-16(17)10-11-18(20)19(21)12-13-22(21,23)5-2/h2,8,17-20,23H,3-4,6-7,9-14H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • 18,19-Dinorpregn-4-en-20-yn-17-ol, 13-ethyl-11-methylene-, (17α)-
  • (17α)-13-Ethyl-11-methylene-18,19-dinorpregn-4-en-20-yn-17-ol
  • 17-Ethynyl-18-methyl-11-methyleneestr-4-en-17β-ol
  • Org 2969
  • 13-Ethyl-11-methylene-18,19-dinor-17α-4-pregnen-20-yn-17-ol
  • Cerazette
  • Dicromil
  • Cyclosa
  • Marvelon 150/320
  • (+)-Desogestrel
  • (+)-13β-Ethyl-17α-ethynyl-11-methylenegon-4-en-17β-ol

Work with Desogestrel

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

Etonogestrel54048-10-172 % similar Lynestrenol52-76-655 % similar Norgestrel6533-00-249 % similar Levonorgestrel797-63-749 % similar Ethylestrenol965-90-243 % similar Allylestrenol432-60-037 % similar Norethindrone68-22-436 % similar Norgestimate35189-28-733 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook