Back to Search
Molecule
Adrenosterone
CAS: 382-45-6 · C19H24O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 382-45-6
- Molecular Formula
- C19H24O3
- Molecular Mass
- 300.40 g/mol
Identifiers
CAS Registry Number
382-45-6
SMILES
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@@H]12
InChI Key
RZRPTBIGEANTGU-IRIMSJTPSA-N
InChI
InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1
Names and Synonyms
- Adrenosterone Synonym
- Androst-4-ene-3,11,17-trione Synonym
- Adrenosterone Synonym
- Δ4-Androstene-3,11,17-trione Synonym
- 11-Keto-4-androstene-3,17-dione Synonym
- Reichstein's substance G Synonym
- 11-Oxo-4-androstene-3,17-dione Synonym
- Andrenosterone Synonym
- (+)-Adrenosterone Synonym
- NSC 12166 Synonym
- Androst-4-en-3,11,17-trione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 300.40 g/mol | CAS Common Chemistry |
| 300.3980000000001 g/mol | RDKit | |
| 300.398 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Adrenosterone | CAS Common Chemistry |
| Canonical SMILES | O=C1C=C2CCC3C(C(=O)CC4(C(=O)CCC34)C)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C19H24O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h9,13-14,17H,3-8,10H2,1-2H3/t13-,14-,17+,18-,19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=RZRPTBIGEANTGU-IRIMSJTPSA-N | CAS Common Chemistry |
| Melting Point | 222 °C | CAS Common Chemistry |
| Name | Adrenosterone | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 51.21 Ų | RDKit |
| LogP | 3.2664000000000017 | RDKit |
| 3.2664 | RDKit | |
| Molar Refractivity | 82.10700000000004 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7368 | RDKit |
| 0.74 | chempirical lib | |
| Exact Mass | 300.17254462799997 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 = 300.40 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C19H24O3.
