chempirical

Gestrinone

C21H24O2CAS 16320-04-0308.42 g/mol

Open in Covalent MOL file
HOO
AlcoholAlkeneAlkyneKetone

Properties

Molecular formula
C21H24O2
Molar mass
308.42 g/mol
Exact mass
308.1776 Da
Melting point
154 °C
logP
3.72Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1
Stereocentres
R, S, S, Sin SMILES atom order

Identifiers

CAS number
16320-04-0
SMILES
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21CC
InChIKey
BJJXHLWLUDYTGC-ANULTFPQSA-N
InChI
InChI=1S/C21H24O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,9,11,13,18-19,23H,3,5-8,10,12H2,1H3/t18-,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

11 names
  • 18,19-Dinorpregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-, (17α)-
  • 18,19-Dinor-17α-pregna-4,9,11-trien-20-yn-3-one, 13-ethyl-17-hydroxy-
  • (17α)-13-Ethyl-17-hydroxy-18,19-dinorpregna-4,9,11-trien-20-yn-3-one
  • R 2323
  • 13-Ethyl-17α-ethynyl-17β-hydroxygona-4,9,11-trien-3-one
  • RU 2323
  • Dimetrose
  • A 46745
  • Tridomose
  • Nemestran
  • Dimetriose

Work with Gestrinone

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

Methyltrienolone965-93-555 % similar Altrenogest850-52-250 % similar Trenbolone10161-33-849 % similar Trendione4642-95-948 % similar Norgestrel6533-00-247 % similar Levonorgestrel797-63-747 % similar Trenbolone acetate10161-34-946 % similar Etonogestrel54048-10-143 % similar

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

Same formula

O,O′-Diallylbisphenol A1745-89-7 Bisphenol A diallyl ether3739-67-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook