chempirical

Canrenone

C22H28O3CAS 976-71-6340.46 g/mol

Open in Covalent MOL file
OOO
AlkeneEsterKetoneLactone

Properties

Molecular formula
C22H28O3
Molar mass
340.46 g/mol
Exact mass
340.2038 Da
Melting point
150 °C
logP
4.37Crippen estimate
Polar surface area
43.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0
Stereocentres
R, R, S, S, S, Rin 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
976-71-6
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
InChIKey
UJVLDDZCTMKXJK-WNHSNXHDSA-N
InChI
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1

Weigh it out

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

Names and synonyms

18 names · show all
  • Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone, (17α)-
  • 17α-Pregna-4,6-diene-21-carboxylic acid, 17-hydroxy-3-oxo-, γ-lactone
  • Spiro[17H-cyclopenta[a]phenanthrene-17,2′(5′H)-furan], pregna-4,6-diene-21-carboxylic acid deriv.
  • 17α-(2-Carboxyethyl)-17β-hydroxyandrosta-4,6-dien-3-one lactone
  • 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid γ-lactone
  • 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid γ-lactone
  • Phanurane
  • Aldadiene
  • SC 9376
  • 3′-(3-Oxo-17β-hydroxyandrosta-4,6-dien-17α-yl)-propionic acid lactone
  • Spirolactone SC 14266
  • 3-(17β-Hydroxy-3-oxoandrosta-4,6-dien-17α-yl)propionic acid lactone
  • 17-Hydroxy-3-oxo-17α-pregna-4,6-diene-21-carboxylic acid lactone
  • 3-(3-Oxo-17β-hydroxy-4,6-androstadien-17α-yl)propionic acid γ-lactone
  • 11614 R.P.
  • 20-Spiroxa-4,6-diene-3,21-dione
  • 17β-Hydroxy-3-oxopregna-4,6-diene-21-carboxylic acid
  • NSC 261713

Work with Canrenone

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

11α-Hydroxycanrenone192569-17-873 % similar Canrenoate potassium2181-04-655 % similar Spironolactone52-01-754 % similar Pregna-4,6-diene-3,20-dione1162-56-752 % similar Dydrogesterone152-62-552 % similar 11α-Hydroxymexrenone192704-56-647 % similar Drospirenone67392-87-445 % similar (+)-Eplerenone107724-20-942 % similar

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

Same formula

Mg1491243583-85-8 Norethisterone acetate51-98-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook