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Hydrocortisone Acetate
CAS: 50-03-3 | C23H32O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
50-03-3
Molecular Formula:
C23H32O6
Molecular Mass:
404.50 g/mol
Names and Synonyms:
Hydrocortisone Acetate
Pregn-4-ene-3,20-dione, 21-(acetyloxy)-11,17-dihydroxy-, (11β)-
Cortisol acetate
Cortisol, 21-acetate
(11β)-21-(Acetyloxy)-11,17-dihydroxypregn-4-ene-3,20-dione
21-Acetoxy-11β,17α-dihydroxypregn-4-ene-3,20-dione
Cortef acetate
Cortril acetate
HA
Hycortole acetate
Hydrin 2
Hydrocortisat
Hydrocortisone 21-acetate
Hydrocortisone acetate
Hydrocortone acetate
17-Hydroxycorticosterone 21-acetate
Isopto-Hydrocortisone
Pabracort
11β,17α,21-Trihydroxypregn-4-ene-3,20-dione 21-acetate
Hydroxycorticosterone acetate
21-Acetoxy-11β,17-dihydroxypregn-4-ene-3,20-dione
21-Acetoxy-11β,17-dihydroxypregn-4-en-3,20-dione
Hydrocortistab
17α-Hydroxycorticosterone acetate
Abbocort
Bambicort
Berlison F
Biocortar
Chemysone
Cortacream
Cortell
Wycort
Proctocort
Velopural
Hc 45
Lenirit
Sigmacort
Cortaid
Sintotrat
Colifoam
Cortril acetate AS
Colofoam
Efcolin
CaldeCort
Hydrocal
Anusol HC
Cordes
Cortifoam
Lanacort
NSC 741
Corticaine
Hydrocort acetate
4-Pregnene-11β,17,21-triol-3,20-dione 21-acetate
Identifiers:
SMILES:
CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
InChI:
InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1
Key Properties
Melting Point
223 °C (decomp)
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 | 404.50 g/mol | CAS Common Chemistry |
| 404.5030000000002 g/mol | RDKit | |
| 404.219888744 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)C | CAS Common Chemistry |
| InChI | InChI=1S/C23H32O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h10,16-18,20,26,28H,4-9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ALEXXDVDDISNDU-JZYPGELDSA-N | CAS Common Chemistry |
| Melting Point | 223 °C (decomp) | CAS Common Chemistry |
| Name | Hydrocortisone acetate | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 100.90000000000002 Ų | RDKit |
| LogP | 2.3524000000000003 | RDKit |
| Molar Refractivity | 104.68960000000006 | RDKit |
