chempirical

Nestorone

C23H30O4CAS 7759-35-5370.49 g/mol

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AlkeneEsterKetone

Properties

Molecular formula
C23H30O4
Molar mass
370.49 g/mol
Exact mass
370.2144 Da
logP
4.19Crippen estimate
Polar surface area
60.4 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2
Stereocentres
S, R, R, S, S, Rin SMILES atom order

Identifiers

CAS number
7759-35-5
SMILES
C=C1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]2(C)[C@@]1(OC(C)=O)C(C)=O
InChIKey
CKFBRGLGTWAVLG-GOMYTPFNSA-N
InChI
InChI=1S/C23H30O4/c1-13-11-21-20-7-5-16-12-17(26)6-8-18(16)19(20)9-10-22(21,4)23(13,14(2)24)27-15(3)25/h12,18-21H,1,5-11H2,2-4H3/t18-,19+,20+,21-,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

9 names
  • 19-Norpregn-4-ene-3,20-dione, 17-(acetyloxy)-16-methylene-
  • 19-Norpregn-4-ene-3,20-dione, 17-hydroxy-16-methylene-, acetate
  • 17-(Acetyloxy)-16-methylene-19-norpregn-4-ene-3,20-dione
  • 16-Methylene-17α-hydroxy-19-nor-4-pregnene-3,20-dione 17-acetate
  • ST 1435
  • 16-Methylene-17α-acetoxy-19-nor-pregn-4-ene-3,20-dione
  • Elcometrine
  • Segesterone acetate
  • Nestorone acetate

Work with Nestorone

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

Gestonorone2137-18-058 % similar Melengestrol acetate2919-66-658 % similar Norethisterone acetate51-98-957 % similar Nandrolone acetate1425-10-151 % similar Methylnortestosterone514-61-449 % similar Norethindrone68-22-448 % similar Norethandrolone52-78-847 % similar 13-Ethylgon-4-ene-3,17-dione21800-83-945 % similar

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

Same formula

Nomegestrol acetate58652-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook