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Molecule
17Β-Hydroxy-2-(Hydroxymethylene)-17-Methyl-5Α-Androstan-3-One
CAS: 434-07-1 · C21H32O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 434-07-1
- Molecular Formula
- C21H32O3
- Molecular Mass
- 332.48 g/mol
Identifiers
CAS Registry Number
434-07-1
SMILES
C[C@]12CC(=CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI Key
ICMWWNHDUZJFDW-IYRCEVNGSA-N
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1
Names and Synonyms
- 17Β-Hydroxy-2-(Hydroxymethylene)-17-Methyl-5Α-Androstan-3-One Synonym
- Androstan-3-one, 17-hydroxy-2-(hydroxymethylene)-17-methyl-, (5α,17β)- Synonym
- 5α-Androstan-3-one, 17β-hydroxy-2-(hydroxymethylene)-17-methyl- Synonym
- (5α,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one Synonym
- C.I. 406 Synonym
- Adroyd Synonym
- Anadrol Synonym
- Anapolon Synonym
- Anasterone Synonym
- 17-Beta-Hydroxy-2-hydroxymethylene-17-alpha-methyl-3-androstanone Synonym
- HMD Synonym
- 17β-Hydroxy-2-(hydroxymethylene)-17α-methyl-5α-androstan-3-one Synonym
- 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one Synonym
- 2-(Hydroxymethylene)-17-methyldihydrotestosterone Synonym
- 2-Hydroxymethylene-17α-methyl-17β-hydroxy-3-androstanone Synonym
- Nastenon Synonym
- Oxymetholone Synonym
- 2-Hydroxymethylene-17α-methylandrostan-17β-ol-3-one Synonym
- 17α-Methyl-2-hydroxymethylene-17-hydroxy-5α-androstan-3-one Synonym
- Oxymethenolone Synonym
- 2-Hydroxymethylene-17β-hydroxy-17α-methyl-5α-androstan-3-one Synonym
- Roboral Synonym
- NSC-26198 Synonym
- Anasteron Synonym
- Anasteronal Synonym
- Becorel Synonym
- Protanabol Synonym
- Synasteron 50 Synonym
- Anapolan 50 Synonym
- Synasteron Synonym
- Pardroyd Synonym
- Plenastril Synonym
- Hemogenin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 332.48 g/mol | CAS Common Chemistry |
| 332.4840000000001 g/mol | RDKit | |
| 332.484 g/mol | RDKit | |
| Canonical SMILES | O=C1C(=CO)CC2(C)C(C1)CCC3C2CCC4(C)C3CCC4(O)C | CAS Common Chemistry |
| InChI | InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=ICMWWNHDUZJFDW-IYRCEVNGSA-N | CAS Common Chemistry |
| Melting Point | 178-180 °C | CAS Common Chemistry |
| Name | 17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 57.53 Ų | RDKit |
| LogP | 4.401000000000005 | RDKit |
| 4.401 | RDKit | |
| Molar Refractivity | 93.45260000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8571 | RDKit |
| 0.86 | chempirical lib | |
| Exact Mass | 332.23514488399996 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 332.48 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C21H32O3.
