chempirical

11α-Hydroxycanrenone

C22H28O4CAS 192569-17-8356.46 g/mol

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AlcoholAlkeneEsterKetoneLactone

Properties

Molecular formula
C22H28O4
Molar mass
356.46 g/mol
Exact mass
356.1988 Da
logP
3.34Crippen estimate
Polar surface area
63.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0
Stereocentres
R, S, S, R, S, S, Rin SMILES atom order

Identifiers

CAS number
192569-17-8
SMILES
C[C@]12CCC(=O)C=C1C=C[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]21CCC(=O)O1
InChIKey
RJTDWMKVQUPGSY-NYTLBARGSA-N
InChI
InChI=1S/C22H28O4/c1-20-8-5-14(23)11-13(20)3-4-15-16-6-9-22(10-7-18(25)26-22)21(16,2)12-17(24)19(15)20/h3-4,11,15-17,19,24H,5-10,12H2,1-2H3/t15-,16-,17+,19+,20-,21-,22+/m0/s1

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

Names and synonyms

1 names
  • Pregna-4,6-diene-21-carboxylic acid, 11,17-dihydroxy-3-oxo-, γ-lactone, (11α,17α)-

Work with 11α-Hydroxycanrenone

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

Canrenone976-71-673 % similar 11α-Hydroxymexrenone192704-56-659 % similar Spironolactone52-01-745 % similar Psi 352707-13C,D31256490-46-645 % similar Hydrocortisone 17-butyrate13609-67-145 % similar Canrenoate potassium2181-04-645 % similar (+)-Eplerenone107724-20-943 % similar Pregna-4,6-diene-3,20-dione1162-56-742 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook