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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 Weight:
304.47400000000005 g/mol
Names and Synonyms:
Methandriol
17α-Androstenediol
NSC 22366
17α-Methylandrost-5-ene-3β,17-diol
Troformone
Testodiol
Stenosterone
Crestabolic
Metandriol
3β,17β-Dihydroxy-17-methylandrost-5-ene
17α-Methyl-17β-hydroxy-5-androsten-3β-ol
Androtestone-M
Megabion
Methandiol
Neostene
Methylandrostenediol
17-Methylandrost-5-ene-3β,17β-diol
Madiol
Stenibell
Stenediol
Protandren
Notandron-depot
Notandron
Neutrosteron
Neutrormone
Neosteron
Nabadial
Metocryst
Metildiolo
Metidione
17α-Methyl-5-androstene-3β,17β-diol
Methostan
Methandrolan
Methandriol
Methanabol
Metendiol
Metandiol
Mestenediol
Masdiol
MAD
Esjaydiol
Diolostene
Diolandrone
Androteston-M
Androdiol
(3β,17β)-17-Methylandrost-5-ene-3,17-diol
Androst-5-ene-3β,17β-diol, 17-methyl-
Androst-5-ene-3,17-diol, 17-methyl-, (3β,17β)-
Identifiers:
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:
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
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 304.47 g/mol | Legacy Database |
| cas-canonical-smile | OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C)C2(C)CC1 None | Legacy Database |
| cas-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 None | Legacy Database |
| cas-inchi-key | InChIKey=WRWBCPJQPDHXTJ-DTMQFJJTSA-N None | Legacy Database |
| cas-melting-point | 206 °C None | Legacy Database |
| cas-name | Methandriol None | Legacy Database |
| LogP | 4.061100000000004 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 304.47400000000005 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 304.240230264 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 22 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 2 count | RDKit |
| Hydrogen Bond Donors | 2 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 40.46 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 88.33360000000006 | RDKit |
