Back to Search
Molecule
Flurandrenolide
CAS: 1524-88-5 · C24H33FO6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1524-88-5
- Molecular Formula
- C24H33FO6
- Molecular Mass
- 436.52 g/mol
Identifiers
CAS Registry Number
1524-88-5
SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI Key
POPFMWWJOGLOIF-XWCQMRHXSA-N
InChI
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
Names and Synonyms
- Flurandrenolide Synonym
- Pregn-4-ene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)- Synonym
- Pregn-4-ene-3,20-dione, 6α-fluoro-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, pregn-4-ene-3,20-dione deriv. Synonym
- (6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione Synonym
- 33379 Synonym
- Cordran Synonym
- Drenison Synonym
- 6α-Fluoro-16α-hydroxyhydrocortisone 16,17-acetonide Synonym
- Flurandrenolone Synonym
- Flurandrenolone acetonide Synonym
- Fludroxycortide Synonym
- Flurandrenolide Synonym
- Fluorandrenolone Synonym
- Fluoroandrenolone acetonide Synonym
- Fluorandrenolone acetonide Synonym
- Haelan Synonym
- 6α-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregn-4-ene-3,20-dione Synonym
- Alondra F Synonym
- Drocort Synonym
- Haldrone F Synonym
- L 33379 Synonym
- Sermaka Synonym
- Fluadrenolone Synonym
- Fludroxicortide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 436.52 g/mol | CAS Common Chemistry |
| 436.5200000000002 g/mol | RDKit | |
| Canonical SMILES | O=C1C=C2C(F)CC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C3C2(C)CC1)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=POPFMWWJOGLOIF-XWCQMRHXSA-N | CAS Common Chemistry |
| Melting Point | 247-255 °C | CAS Common Chemistry |
| Name | Flurandrenolide | CAS Common Chemistry |
| Heavy Atom Count | 31 | 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 | 2.498700000000001 | RDKit |
| 2.4987 | RDKit | |
| Molar Refractivity | 108.62260000000006 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8333 | RDKit |
| 0.83 | chempirical lib | |
| Exact Mass | 436.2261169959999 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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
Convert
Quick conversion
MW = 436.52 g/mol. Edit any field — others recompute live.
