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Desonide
CAS: 638-94-8 | C24H32O6
2D Structure
3D Structure
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Basic Information
CAS Registry Number:
638-94-8
Molecular Formula:
C24H32O6
Molecular Mass:
416.51 g/mol
Names and Synonyms:
Desonide
Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)-
Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv.
(11β,16α)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione
16α-Hydroxyprednisolone 16α,17α-acetonide
Desonide
Prednacinolone
16α-Hydroxyprednisolone acetonide
11β,16α,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide
Tridesilon
16α-Hydroxyprednisolone 16,17-acetonide
16α,17α-(Isopropylidenedioxy)prednisolone
Steroderm
11β,21-Dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
Prednacinolone acetonide
Apolar
D 2083
Locapred
Topifug
Sterax
Budesonide acetonide
Prenacid
Tridesonit
Prednisolone acetonide
Desowen
Identifiers:
SMILES:
CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI:
InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1
Key Properties
Melting Point
274 °C
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 | 416.51 g/mol | CAS Common Chemistry |
| 416.51400000000024 g/mol | RDKit | |
| 416.2198887439999 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H32O6/c1-21(2)29-19-10-16-15-6-5-13-9-14(26)7-8-22(13,3)20(15)17(27)11-23(16,4)24(19,30-21)18(28)12-25/h7-9,15-17,19-20,25,27H,5-6,10-12H2,1-4H3/t15-,16-,17-,19+,20+,22-,23-,24+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WBGKWQHBNHJJPZ-LECWWXJVSA-N | CAS Common Chemistry |
| Melting Point | 274 °C | CAS Common Chemistry |
| Name | Desonide | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 93.06 Ų | RDKit |
| LogP | 2.326700000000001 | RDKit |
| Molar Refractivity | 108.24960000000004 | RDKit |
