chempirical

Aldosterone

C21H28O5CAS 52-39-1360.45 g/mol

Open in Covalent MOL file
OOHOOHO
AlcoholAldehydeAlkeneKetone

Properties

Molecular formula
C21H28O5
Molar mass
360.45 g/mol
Exact mass
360.1937 Da
Melting point
166.5 °C
logP
1.85Crippen estimate
Polar surface area
91.7 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
3
Stereocentres
R, S, S, S, 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
52-39-1
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12
InChIKey
PQSUYGKTWSAVDQ-ZVIOFETBSA-N
InChI
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1

Weigh it out

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

Names and synonyms

16 names · show all
  • Pregn-4-en-18-al, 11,21-dihydroxy-3,20-dioxo-, (11β)-
  • (11β)-11,21-Dihydroxy-3,20-dioxopregn-4-en-18-al
  • Aldocorten
  • Aldocortene
  • (+)-Aldosterone
  • d-Aldosterone
  • 11β,21-Dihydroxy-3,20-diketo-4-pregnen-18-al
  • 11β,21-Dihydroxy-3,20-diketopregn-4-ene-18-al
  • 11β,21-Dihydroxypregn-4-ene-3,18,20-trione
  • Electrocortin
  • Elektrocortin
  • 18-Formyl-11β,21-dihydroxy-4-pregnene-3,20-dione
  • 18-Oxocorticosterone
  • Aldocortin
  • Reichstein X
  • NSC 73856

Work with Aldosterone

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

Corticosterone50-22-676 % similar 11α-Hydroxyprogesterone80-75-160 % similar 11-Deoxycorticosterone64-85-758 % similar Corticosterone acetate1173-26-858 % similar Cortisol50-23-756 % similar Psi 352707-13C,D31256490-46-650 % similar Hydrocortisone 17-butyrate13609-67-150 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-250 % similar

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

Same formula

Prednisolone50-24-8 Cortisone53-06-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia