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Deoxycorticosterone Acetate

CAS: 56-47-3 | C23H32O4

2D Structure

3D Structure

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Basic Information

CAS Registry Number: 56-47-3
Molecular Formula: C23H32O4
Molecular Weight: 372.5050000000002 g/mol

Names and Synonyms:

Deoxycorticosterone Acetate
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-
11-Deoxycorticosterone, acetate
Pregn-4-ene-3,20-dione, 21-hydroxy-, acetate
21-(Acetyloxy)pregn-4-ene-3,20-dione
21-Acetoxy-3,20-diketopregn-4-ene
Cortacet
Cortate
Cortenil
Cortesan
Cortexone acetate
Cortifar
Cortigen
Cortinaq
Cortiron
Cortivis
Cortixyl
DCA
Decortin
Decorten
Decosterone
Decostrate
11-Deoxycorticosterone 21-acetate
Deoxycorticosterone acetate
Deoxycorticosterone 21-acetate
Deoxycortone acetate
Descorterone
Descotone
Desoxycorticosterone acetate
Desoxycortone acetate
DOC acetate
Dorcostrin
Doxo
21-Hydroxypregn-4-ene-3,20-dione 21-acetate
21-Hydroxypregn-4-ene-3,20-dione acetate
Krinocorts
11-Desoxycorticosterone acetate
Ocriten
Percorten
Percotol
4-Pregnene-3,20-dione 21-acetate
4-Pregnene-3,20-dione-21-ol acetate
Primocort
Primocortan
Sincortex
Steraq
Syncort
Syncorta
Syncortyl
Unidocan
DOCA
21-Acetoxypregn-4-ene-3,20-dione
21-Acetoxypregn-4-en-3,20-dione
Doxycamon
Arcort
Ocritena
Bio-Corten
Decosteron
NSC 9567
21-Hydroxyprogesterone 21-acetate

Identifiers:

SMILES:
CC(=O)OCC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI:
InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/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

Molecular

Property Value Source
Molecular Weight 372.5050000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 372.230059504 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 27 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 3 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 60.440000000000005 Ų RDKit

Physical Properties

Property Value Source
LogP 4.266700000000004 RDKit
molecular_mass 372.51 g/mol Legacy Database
cas-canonical-smile O=C(OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C None Legacy Database
cas-inchi InChI=1S/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3/t17-,18-,19-,20+,22-,23-/m0/s1 None Legacy Database
cas-inchi-key InChIKey=VPGRYOFKCNULNK-ACXQXYJUSA-N None Legacy Database
cas-melting-point 157 °C None Legacy Database
cas-name Deoxycorticosterone acetate None Legacy Database

Molar

Property Value Source
Molar Refractivity 101.84000000000006 RDKit

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