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Molecule

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

Identifiers

CAS Registry 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

InChI Key

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

Names and Synonyms

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

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 362.47 g/mol CAS Common Chemistry
362.4660000000002 g/mol RDKit
362.466 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
1.7816 RDKit
Molar Refractivity 95.14240000000004 cm³/mol RDKit
Ring Count 4 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.8095 RDKit
0.81 chempirical lib
Exact Mass 362.2093240599999 g/mol RDKit

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

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MW = 362.47 g/mol; density = 1.400 g/mL. Edit any field — others recompute live.

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