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Molecule
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
Identifiers
CAS Registry Number
638-94-8
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 Key
WBGKWQHBNHJJPZ-LECWWXJVSA-N
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
Names and Synonyms
- Desonide Common Name
- Pregna-1,4-diene-3,20-dione, 11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone Synonym
- 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv. Synonym
- (11β,16α)-11,21-Dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione Synonym
- 16α-Hydroxyprednisolone 16α,17α-acetonide Synonym
- Desonide Synonym
- Prednacinolone Synonym
- 16α-Hydroxyprednisolone acetonide Synonym
- 11β,16α,17,21-Tetrahydroxypregna-1,4-diene-3,20-dione 16,17-acetonide Synonym
- Tridesilon Synonym
- 16α-Hydroxyprednisolone 16,17-acetonide Synonym
- 16α,17α-(Isopropylidenedioxy)prednisolone Synonym
- Steroderm Synonym
- 11β,21-Dihydroxy-16α,17α-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione Synonym
- Prednacinolone acetonide Synonym
- Apolar Synonym
- D 2083 Synonym
- Locapred Synonym
- Topifug Synonym
- Sterax Synonym
- Budesonide acetonide Synonym
- Prenacid Synonym
- Tridesonit Synonym
- Prednisolone acetonide Synonym
- Desowen Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 416.51 g/mol | CAS Common Chemistry |
| 416.51400000000024 g/mol | RDKit | |
| 416.514 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 |
| 2.3267 | RDKit | |
| Molar Refractivity | 108.24960000000004 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 416.2198887439999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 416.51 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C24H32O6.
