11-Deoxycortisol

C₂₁H₃₀O₄CAS 152-58-9346.47 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₃₀O₄
Molar mass: 346.47 g/mol
Exact mass: 346.2144 Da
Melting point: 215 °C
logP: 2.81Crippen estimate
Polar surface area: 74.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2
Stereocentres: R, R, S, S, S, Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H341 Suspected of causing genetic defects33.3% of notifiers
H351 Suspected of causing cancer66.7% of notifiers
H361 Suspected of damaging fertility or the unborn child66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

152-58-9

SMILES

C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO

InChIKey

WHBHBVVOGNECLV-OBQKJFGGSA-N

InChI

InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1

Weigh it out

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

Names and synonyms

32 names · show all

Pregn-4-ene-3,20-dione, 17,21-dihydroxy-
Compound S
17,21-Dihydroxypregn-4-ene-3,20-dione
Cortexolone
Cortisol, 11-deoxy-
Cortodoxone
11-Deoxyhydrocortisone
11-Desoxyhydrocortisone
17α,21-Dihydroxypregn-4-ene-3,20-dione
17α-Hydroxycortexone
17-Hydroxy-11-deoxycorticosterone
δ4-Pregnene-17α,21-diol-3,20-dione
4-Pregnene-17α,21-diol-3,20-dione
Reichstein S
Reichstein's compound S
Reichstein's substance S
Substance S
17,21-Dihydroxyprogesterone
11-Deoxy-17-hydroxycorticosterone
11-Desoxycortisol
17α,21-Dihydroxyprogesterone
17,21-Dihydroxypregn-4-en-3,20-dione
4-Pregnen-17α,21-diol-3,20-dione
SKF 3050
11-Deoxycortisone
11-Desoxy-17α-hydroxycorticosterone
11-Deoxy-17-hydrocorticosterone
Cortifen
17α,21-Dihydroxy-4-pregnen-3,20-dione
NSC 18317
Reichstein substance S
4-Pregnene-11β,17,21-triol-3,20-dione

Work with 11-Deoxycortisol

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

Cortisone53-06-576 % similar 17β-Hydroxyprogesterone604-09-175 % similar 17α-Hydroxyprogesterone68-96-275 % similar Cortisol50-23-773 % similar 21-(Acetyloxy)-17-hydroxypregn-4-ene-3,20-dione640-87-973 % similar 21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione19608-29-868 % similar Methyltestosterone58-18-467 % similar Ethisterone434-03-762 % similar

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

Same formula

Corticosterone50-22-6 Algestone595-77-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia