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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
Names and Synonyms:
17Β-Hydroxy-2-(Hydroxymethylene)-17-Methyl-5Α-Androstan-3-One
Androstan-3-one, 17-hydroxy-2-(hydroxymethylene)-17-methyl-, (5α,17β)-
5α-Androstan-3-one, 17β-hydroxy-2-(hydroxymethylene)-17-methyl-
(5α,17β)-17-Hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one
C.I. 406
Adroyd
Anadrol
Anapolon
Anasterone
17-Beta-Hydroxy-2-hydroxymethylene-17-alpha-methyl-3-androstanone
HMD
17β-Hydroxy-2-(hydroxymethylene)-17α-methyl-5α-androstan-3-one
17β-Hydroxy-2-(hydroxymethylene)-17-methyl-5α-androstan-3-one
2-(Hydroxymethylene)-17-methyldihydrotestosterone
2-Hydroxymethylene-17α-methyl-17β-hydroxy-3-androstanone
Nastenon
Oxymetholone
2-Hydroxymethylene-17α-methylandrostan-17β-ol-3-one
17α-Methyl-2-hydroxymethylene-17-hydroxy-5α-androstan-3-one
Oxymethenolone
2-Hydroxymethylene-17β-hydroxy-17α-methyl-5α-androstan-3-one
Roboral
NSC-26198
Anasteron
Anasteronal
Becorel
Protanabol
Synasteron 50
Anapolan 50
Synasteron
Pardroyd
Plenastril
Hemogenin
Identifiers:
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:
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
Key Properties
Melting Point
178-180 °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 | 332.48 g/mol | CAS Common Chemistry |
| 332.4840000000001 g/mol | RDKit | |
| 332.23514488399996 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 |
| Molar Refractivity | 93.45260000000006 | RDKit |
