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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.

External Resources

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

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