Cortisol

C₂₁H₃₀O₅CAS 50-23-7362.47 g/mol

Open in Covalent MOL file

Alcohol Alkene Ketone

Properties

Molecular formula: C₂₁H₃₀O₅
Molar mass: 362.47 g/mol
Exact mass: 362.2093 Da
Density: 1.4 g/mL
Melting point: 217–220 °C (decomposes)
Water solubility: 320 mg/L (25 °C)
logP: 1.78Crippen estimate
Polar surface area: 94.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 2
Stereocentres: R, S, S, S, S, S, Rin SMILES atom order

Hazards

Warning

H361 Suspected of damaging fertility or the unborn child86.5% of notifiers
H373 May causes damage to organs through prolonged or repeated exposure31.8% of notifiers

Aggregated from 274 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

50-23-7

SMILES

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

InChIKey

JYGXADMDTFJGBT-VWUMJDOOSA-N

InChI

InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1

Weigh it out

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

Names and synonyms

91 names · show all

Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
(11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione
NSC 10483
anti-Inflammatory hormone
Cobadex
Cort-dome
Cortef
Cortifan
Cortispray
Cortonema
Cortril
Efcorbin
Ficortril
Genacort
HC
Heb-cort
Hycort
Hycortol
Hycortole
Hydro-adreson
Hidro-colisona
Hydrocortisone
Hydrocortisyl
Hydrocortone
17-Hydroxycorticosterone
11β-Hydroxycortisone
Hytone lotion
Incortin-H
Kendall's compound F
Optef
Otosone-F
Permicort
4-Pregnene-11β,17α,21-triol-3,20-dione
Reichstein's substance M
Scheroson F
Tarcortin
Texacort lotion 25
Topicort
Traumaide
11β,17α,21-Trihydroxypregn-4-ene-3,20-dione
11β,17,21-Trihydroxypregn-4-ene-3,20-dione
17α-Hydroxycorticosterone
Domolene-HC
Esiderm H
Epiderm H
Corticreme
Cortiment
Cortanal
Hydrasson
Cortenema
Signef
Hydrocorticosterone
Dihydrocostisone
Polcort H
Efcortelan
Hydrocortal
11β,17,21-Trihydroxyprogesterone
Dermolate
Hytone
U 1851
Hydroskin
CCN 90306A
Acticort
Nutracort
Ala-cort
Lacticare HC
Zenoxone
Dermacort
Medicort
Synacort
Dioderm
Eldecort
Evacort
Hydracort
Texacort
Penecort
Anflam
CaldeCort Spray
Dermocortal
Timocort
Cetacort
Aeroseb HC
Mildison
Hydrocort
Sanatison
DuoCort
Scalpicin
Hydrocortin
Infacort
Plenadren
Alkindi

Work with Cortisol

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

Hydrocortisone acetate50-03-376 % similar 11-Deoxycortisol152-58-973 % similar Hydrocortisone hemisuccinate2203-97-670 % similar Hydrocortisone sodium phosphate6000-74-469 % similar Cortisone53-06-569 % similar Psi 352707-13C,D31256490-46-668 % similar Hydrocortisone 17-butyrate13609-67-168 % similar Hydrocortisone sodium succinate125-04-267 % similar

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

Same formula

4-((11-(Acryloyloxy)undecyl)oxy)benzoic acid106620-90-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia