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Cortisol
CAS: 50-23-7 | C21H30O5
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-23-7
Molecular Formula:
C21H30O5
Molecular Weight:
362.4660000000002 g/mol
Names and Synonyms:
Cortisol
Alkindi
Plenadren
Infacort
Hydrocortin
Scalpicin
DuoCort
Sanatison
Hydrocort
Mildison
Aeroseb HC
Cetacort
Timocort
Dermocortal
CaldeCort Spray
Anflam
Penecort
Texacort
Hydracort
Evacort
Eldecort
Dioderm
Synacort
Medicort
Dermacort
Zenoxone
Lacticare HC
Ala-Cort
Nutracort
Acticort
CCN 90306A
Hydroskin
U 1851
Hytone
Dermolate
11β,17,21-Trihydroxyprogesterone
Hydrocortal
Efcortelan
Polcort H
Dihydrocostisone
Hydrocorticosterone
Signef
Cortenema
Hydrasson
Cortanal
Cortiment
Corticreme
Epiderm H
Esiderm H
Domolene-HC
17α-Hydroxycorticosterone
11β,17,21-Trihydroxypregn-4-ene-3,20-dione
11β,17α,21-Trihydroxypregn-4-ene-3,20-dione
Traumaide
Topicort
Texacort lotion 25
Tarcortin
Scheroson F
Reichstein's substance M
4-Pregnene-11β,17α,21-triol-3,20-dione
Permicort
Otosone-F
Optef
Kendall's compound F
Incortin-H
Hytone lotion
11β-Hydroxycortisone
17-Hydroxycorticosterone
Hydrocortone
Hydrocortisyl
Hydrocortisone
Hidro-Colisona
Hydro-Adreson
Hycortole
Hycortol
Hycort
Heb-Cort
HC
Genacort
Ficortril
Efcorbin
Cortril
Cortonema
Cortispray
Cortifan
Cortef
Cort-Dome
Cobadex
Anti-inflammatory hormone
NSC 10483
(11β)-11,17,21-Trihydroxypregn-4-ene-3,20-dione
Cortisol
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Identifiers:
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
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 362.4660000000002 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 362.2093240599999 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 26 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 3 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 2 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 94.83 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7815999999999996 | RDKit |
| molecular_mass | 362.47 g/mol | Legacy Database |
| density | 1.40 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cortisol None | Legacy Database |
| cas-canonical-smile | O=C1C=C2CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3C2(C)CC1 None | Legacy Database |
| cas-density | 1.4 g/cm3 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N None | Legacy Database |
| cas-melting-point | 217-220 °C (decomp) None | Legacy Database |
| cas-name | Cortisol None | Legacy Database |
| wikipedia-name | Cortisol None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 95.14240000000004 | RDKit |
