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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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
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
LogP 1.7815999999999996 RDKit

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

Molar

Property Value Source
Molar Refractivity 95.14240000000004 RDKit

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