chempirical

Gestonorone

C20H28O3CAS 2137-18-0316.44 g/mol

Open in Covalent MOL file
OHOO
AlcoholAlkeneKetone

Properties

Molecular formula
C20H28O3
Molar mass
316.44 g/mol
Exact mass
316.2038 Da
Melting point
204–206 °C
logP
3.45Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1
Stereocentres
R, S, R, R, S, Sin 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
2137-18-0
SMILES
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChIKey
GTFUITFQDGVJSK-XGXHKTLJSA-N
InChI
InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1

Weigh it out

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

Names and synonyms

10 names
  • 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-
  • 17-Hydroxy-19-norpregn-4-ene-3,20-dione
  • 17α-Hydroxy-19-norpregn-4-ene-3,20-dione
  • TX 045
  • 17α-Hydroxy-19-norprogesterone
  • Gestronol
  • 17α-Hydroxy-19-norpregn-4-en-3,20-dione
  • 19-Norpregn-4-en-3,20-dione-17α-ol
  • 17α-17-Acetyl-17-hydroxyestr-4-en-3-one
  • 17β-Acetyl-17α-hydroxyestr-4-en-3-one

Work with Gestonorone

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

Methylnortestosterone514-61-469 % similar Norethandrolone52-78-865 % similar Nomegestrol58691-88-664 % similar 17β-Hydroxyprogesterone604-09-163 % similar Norethindrone68-22-463 % similar 17α-Hydroxyprogesterone68-96-263 % similar Norethisterone acetate51-98-958 % similar Nestorone7759-35-558 % similar

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

Same formula

Nandrolone acetate1425-10-1 (17Beta)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook