chempirical

Hydrocortisone 17-butyrate

C25H36O6CAS 13609-67-1432.56 g/mol

Open in Covalent MOL file
OOOHOOOH
AlcoholAlkeneEsterKetone

Properties

Molecular formula
C25H36O6
Molar mass
432.56 g/mol
Exact mass
432.2512 Da
Melting point
217–220 °C
logP
3.13Crippen estimate
Polar surface area
100.9 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
5
Stereocentres
R, S, S, R, S, S, Sin SMILES atom order

Identifiers

CAS number
13609-67-1
SMILES
CCCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChIKey
BMCQMVFGOVHVNG-TUFAYURCSA-N
InChI
InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1

Weigh it out

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

Names and synonyms

11 names
  • Pregn-4-ene-3,20-dione, 11,21-dihydroxy-17-(1-oxobutoxy)-, (11β)-
  • Cortisol, 17-butyrate
  • Butyric acid, 17-ester with cortisol
  • (11β)-11,21-Dihydroxy-17-(1-oxobutoxy)pregn-4-ene-3,20-dione
  • Hydrocortisone 17α-butyrate
  • Locoid
  • Hydrocortisone butyrate
  • 4-Pregnene-11β,21-dihydroxy-17α-butyryloxy-3,20-dione
  • Alfason
  • Laticort
  • Plancol

Work with Hydrocortisone 17-butyrate

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

Cortisol50-23-768 % similar 21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione19608-29-866 % similar Hydrocortisone hemisuccinate2203-97-657 % similar Hydrocortisone acetate50-03-356 % similar Hydrocortisone sodium succinate125-04-254 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-253 % similar Hydroxyprogesterone caproate630-56-853 % similar Hydrocortisone sodium phosphate6000-74-452 % similar

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

Same formula

Psi 352707-13C,D31256490-46-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia