| SpectraBase Spectrum ID |
BWTYWsCKUny |
| Name |
4-Chloro-17α-methyl-androst-4-ene-3β,17β-diol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22447 |
| Lot Number |
0509552-2 |
| Apodization Function |
Norton-Beer, medium |
| CAS Registry Number |
35937-40-7 |
| Copyright |
Copyright © 2012-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| DEA Schedule |
III |
| Formula |
C20H31ClO2 |
| IUPAC Name |
(17β)-4-Chloro-17-methyl-androst-4-ene-3,17-diol |
| InChI |
InChI=1S/C20H31ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,16,22-23H,4-11H2,1-3H3/t12-,13+,14+,16+,18-,19+,20+/m1/s1 |
| InChIKey |
FWWFNYYTZPIJFZ-HADYEQCDSA-N |
| Instrument Name |
Bio-Rad FTS
|
| Molecular Weight |
338.919 g/mol |
| SMILES |
O[C@]1(CC[C@@]2([C@@]1(CC[C@]1([C@]2(CC\C=2[C@@]1(CC[C@@](C/2Cl)(O)[H])C)[H])[H])C)[H])C |
| Source of Spectrum |
Forensic Spectral Research |
| Technique |
KBr0 |
