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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
Names and Synonyms:
Flurandrenolide
Pregn-4-ene-3,20-dione, 6-fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)-
Pregn-4-ene-3,20-dione, 6α-fluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregn-4-ene-3,20-dione deriv.
(6α,11β,16α)-6-Fluoro-11,21-dihydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregn-4-ene-3,20-dione
33379
Cordran
Drenison
6α-Fluoro-16α-hydroxyhydrocortisone 16,17-acetonide
Flurandrenolone
Flurandrenolone acetonide
Fludroxycortide
Flurandrenolide
Fluorandrenolone
Fluoroandrenolone acetonide
Fluorandrenolone acetonide
Haelan
6α-Fluoro-11β,21-dihydroxy-16α,17α-(isopropylidenedioxy)pregn-4-ene-3,20-dione
Alondra F
Drocort
Haldrone F
L 33379
Sermaka
Fluadrenolone
Fludroxicortide
Identifiers:
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:
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
Key Properties
Melting Point
247-255 °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 | 436.52 g/mol | CAS Common Chemistry |
| 436.5200000000002 g/mol | RDKit | |
| 436.2261169959999 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 |
| Molar Refractivity | 108.62260000000006 | RDKit |
