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Molecule
Methandriol
CAS: 521-10-8 · C20H32O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 521-10-8
- Molecular Formula
- C20H32O2
- Molecular Mass
- 304.47 g/mol
Identifiers
CAS Registry Number
521-10-8
SMILES
C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI Key
WRWBCPJQPDHXTJ-DTMQFJJTSA-N
InChI
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1
Names and Synonyms
- Methandriol Common Name
- Androst-5-ene-3,17-diol, 17-methyl-, (3β,17β)- Synonym
- Androst-5-ene-3β,17β-diol, 17-methyl- Synonym
- (3β,17β)-17-Methylandrost-5-ene-3,17-diol Synonym
- Androdiol Synonym
- Androteston-M Synonym
- Diolandrone Synonym
- Diolostene Synonym
- Esjaydiol Synonym
- MAD Synonym
- Masdiol Synonym
- Mestenediol Synonym
- Metandiol Synonym
- Metendiol Synonym
- Methanabol Synonym
- Methandriol Synonym
- Methandrolan Synonym
- Methostan Synonym
- 17α-Methyl-5-androstene-3β,17β-diol Synonym
- Metidione Synonym
- Metildiolo Synonym
- Metocryst Synonym
- Nabadial Synonym
- Neosteron Synonym
- Neutrormone Synonym
- Neutrosteron Synonym
- Notandron Synonym
- Notandron-depot Synonym
- Protandren Synonym
- Stenediol Synonym
- Stenibell Synonym
- Madiol Synonym
- 17-Methylandrost-5-ene-3β,17β-diol Synonym
- Methylandrostenediol Synonym
- Neostene Synonym
- Methandiol Synonym
- Megabion Synonym
- Androtestone-M Synonym
- 17α-Methyl-17β-hydroxy-5-androsten-3β-ol Synonym
- 3β,17β-Dihydroxy-17-methylandrost-5-ene Synonym
- Metandriol Synonym
- Crestabolic Synonym
- Stenosterone Synonym
- Testodiol Synonym
- Troformone Synonym
- 17α-Methylandrost-5-ene-3β,17-diol Synonym
- NSC 22366 Synonym
- 17α-Androstenediol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 304.47 g/mol | CAS Common Chemistry |
| 304.47400000000005 g/mol | RDKit | |
| 304.474 g/mol | RDKit | |
| Canonical SMILES | OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WRWBCPJQPDHXTJ-DTMQFJJTSA-N | CAS Common Chemistry |
| Melting Point | 206 °C | CAS Common Chemistry |
| Name | Methandriol | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.061100000000004 | RDKit |
| 4.0611 | RDKit | |
| Molar Refractivity | 88.33360000000006 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.9 | RDKit |
| Exact Mass | 304.240230264 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
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100
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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
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MW = 304.47 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C20H32O2.
