chempirical

Corticosterone acetate

C23H32O5CAS 1173-26-8388.50 g/mol

Open in Covalent MOL file
OOOOOH
AlcoholAlkeneEsterKetone

Properties

Molecular formula
C23H32O5
Molar mass
388.50 g/mol
Exact mass
388.2250 Da
Melting point
152.5–153 °C
logP
3.24Crippen estimate
Polar surface area
80.7 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
3
Stereocentres
S, S, S, R, S, S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, P501

Identifiers

CAS number
1173-26-8
SMILES
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
InChIKey
WKQCPUMQBMFPLC-ZWFCQKKLSA-N
InChI
InChI=1S/C23H32O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h10,16-19,21,26H,4-9,11-12H2,1-3H3/t16-,17-,18+,19-,21+,22-,23-/m0/s1

Weigh it out

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

Names and synonyms

6 names
  • Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11-hydroxy-, (11β)-
  • Corticosterone, 21-acetate
  • (11β)-21-(Acetyloxy)-11-hydroxypregn-4-ene-3,20-dione
  • SKF 5654
  • Cort A
  • NSC 81764

Work with Corticosterone acetate

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

Corticosterone50-22-675 % similar Deoxycorticosterone acetate56-47-372 % similar 11α-Hydroxyprogesterone80-75-172 % similar Hydrocortisone acetate50-03-362 % similar Aldosterone52-39-158 % similar Desoxycorticosterone pivalate808-48-057 % similar 11-Deoxycorticosterone64-85-753 % similar (11α,16α)-16,17-Epoxy-11-hydroxypregn-4-ene-3,20-dione19427-36-252 % similar

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

Same formula

21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook