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Nisona

CAS: 53-03-2 | C21H26O5

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 53-03-2
Molecular Formula: C21H26O5
Molecular Weight: 358.43400000000014 g/mol

Names and Synonyms:

Nisona
Prednisone
Pregna-1,4-diene-3,11,20-trione, 17,21-dihydroxy-
17,21-Dihydroxypregna-1,4-diene-3,11,20-trione
Ancortone
Bicortone
Colisone
Δ1-Cortisone
Dacortin
Decortancyl
Decortisyl
Δ1-Dehydrocortisone
1-Dehydrocortisone
Dekortin
Delta E
Delta-Cortelan
Deltacortisone
Deltacortone
Deltasone
Deltisone
Deltra
Di-Adreson
17α,21-Dihydroxy-1,4-pregnadiene-3,11,20-trione
Encortone
Enkorton
Hostacortin
Metacortandracin
Meticorten
Paracort
Prednisone
1,4-Pregnadiene-17α,21-diol-3,11,20-trione
Supercortil
Ultracorten
Ultracortene
Encorton
1,2-Dehydrocortisone
Dehydrocortisone
Δ-Cortisone
17,21-Dihydroxypregn-1,4-diene-3,11,20-trione
NSC 10023
Cortidelt
Prednison
Deltison
Rectodelt
Prednitone
Me-Korti
Prednicorm
Cartancyl
Uniplen
Prednicort
Liquid Pred
Pehacort
Adasone
Drazone
Apo-Prednisone
Winpred
Econosone
Fernisone
Delta-Dome
Deltisona
Panafcort
Prednicot
Deltacortene
Dacorten
Prednidib
Sterapred
Cordrol
Prednicen M
Panasol
Predniment
Cortan
Dellacort
Dellacort A
Sone
Orasone
Delcortin
Decortin
Parmenison
Pulmison
Nurison
Retrocortine
Pronison
Prednilonga
17α,21-Dihydroxypregn-1,4-dien-3,11,20-trione
Prednidone

Identifiers:

SMILES:
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CO
InChI:
InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,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 358.43 g/mol Legacy Database
cas-canonical-smile O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)CO)C None Legacy Database
cas-inchi InChI=1S/C21H26O5/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/h5,7,9,14-15,18,22,26H,3-4,6,8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 None Legacy Database
cas-inchi-key InChIKey=XOFYZVNMUHMLCC-ZPOLXVRWSA-N None Legacy Database
cas-melting-point 234 °C (decomp) None Legacy Database
cas-name Prednisone None Legacy Database
LogP 1.7658 RDKit

Molecular

Property Value Source
Molecular Weight 358.43400000000014 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 358.1780239319999 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 2 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 91.67 Ų RDKit

Molar

Property Value Source
Molar Refractivity 94.04860000000005 RDKit

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