chempirical

11-Deoxycorticosterone

C21H30O3CAS 64-85-7330.47 g/mol

Open in Covalent MOL file
OOHO
AlcoholAlkeneKetone

Properties

Molecular formula
C21H30O3
Molar mass
330.47 g/mol
Exact mass
330.2195 Da
Density
1.22 g/mL
Melting point
141.5 °C
logP
3.70Crippen estimate
Polar surface area
54.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2
Stereocentres
S, S, S, R, S, Sin SMILES atom order

Hazards

Warning
Health Hazard (GHS08)

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

Precautionary statements

P203, P260, P280, P318, P319, P405, P501

Identifiers

CAS number
64-85-7
SMILES
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO
InChIKey
ZESRJSPZRDMNHY-YFWFAHHUSA-N
InChI
InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

21 names · show all
  • Pregn-4-ene-3,20-dione, 21-hydroxy-
  • 21-Hydroxypregn-4-ene-3,20-dione
  • Cortexone
  • 11-Dehydroxycorticosterone
  • Deoxycortone
  • Desoxycorticosterone
  • 11-Desoxycorticosterone
  • Desoxycortone
  • DOC
  • 21-Hydroxy-δ4-pregnene-3,20-dione
  • 21-Hydroxyprogesterone
  • Kendall's desoxy compound B
  • 4-Pregnen-21-ol-3,20-dione
  • Reichstein's substance Q
  • Corticosterone, 11-deoxy-
  • Deoxycorticosterone
  • δ4-Pregnene-21-ol-3,20-dione
  • 21-Hydroxy-3,20-dioxopregn-4-ene
  • 21-Hydroxy-δ4-pregnane-3,20-dione
  • DOC (steroid)
  • NSC 11319

Work with 11-Deoxycorticosterone

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

(17Beta)-3-Oxoandrost-4-ene-17-carboxylic acid302-97-674 % similar Progesterone57-83-072 % similar Corticosterone50-22-671 % similar Deoxycorticosterone acetate56-47-371 % similar Desoxycorticosterone pivalate808-48-070 % similar Epitestosterone481-30-169 % similar Testosterone58-22-069 % similar 3-Oxopregn-4-ene-20-carboxaldehyde24254-01-162 % similar

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

Same formula

Testosterone 17-acetate1045-69-8 Methyl (17β)-3-oxoandrost-4-ene-17-carboxylate2681-55-2 17β-Hydroxyprogesterone604-09-1 Trestolone acetate6157-87-5 17α-Hydroxyprogesterone68-96-2 Nandrolone propionate7207-92-3 11α-Hydroxyprogesterone80-75-1 (3S,5R,6R,7R,8R,9S,10R,13S,14S,15S,16S)-Octadecahydro-3,5-dihydroxy-10,13-dimethyl-17H-dicyclopropa[6,7:15,16]cyclopenta[a]phenanthren-17-one82543-16-6

Elsewhere

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