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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 Mass:
362.47 g/mol
Names and Synonyms:
Cortisol
Pregn-4-ene-3,20-dione, 11,17,21-trihydroxy-, (11β)-
Cortisol
(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
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
Key Properties
Melting Point
217-220 °C (decomp)
CAS Common Chemistry
Density
1.40 g/cm³
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 362.47 g/mol | CAS Common Chemistry |
| 362.4660000000002 g/mol | RDKit | |
| 362.2093240599999 g/mol | RDKit | |
| Density | 1.40 g/cm³ | CAS Common Chemistry |
| 1.4 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cortisol | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C3C2(C)CC1 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=JYGXADMDTFJGBT-VWUMJDOOSA-N | CAS Common Chemistry |
| Melting Point | 217-220 °C (decomp) | CAS Common Chemistry |
| Name | Cortisol | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 3 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 94.83 Ų | RDKit |
| LogP | 1.7815999999999996 | RDKit |
| Molar Refractivity | 95.14240000000004 | RDKit |
