| SpectraBase Spectrum ID |
9McbCMMdQ34 |
| Name |
4-Chloro-17a-methyl-androsta1,4-diene-3,17-diol |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
22446 |
| Lot Number |
0528409-3 |
| Accessory |
DurasamplIR II |
| CAS Registry Number |
2389041-67-0 |
| Copyright |
Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
336.185607872 u |
| Formula |
C20H29ClO2 |
| InChI |
InChI=1S/C20H29ClO2/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/h8-9,12-14,16,22-23H,4-7,10-11H2,1-3H3/t12-,13+,14+,16?,18-,19+,20+/m1/s1 |
| InChIKey |
ZHWBNJVZZYSUJZ-KYPBWNNHSA-N |
| Instrument Name |
Bio-Rad FTS |
| Molecular Weight |
336.903 g/mol |
| Purity |
≥95% (mixture of diastereomers) |
| Resolution |
4 |
| SMILES |
C[C@]12C=CC(C(=C1CC[C@]1([C@@]3(CC[C@@](C)([C@]3(CC[C@]21[H])C)O)[H])[H])Cl)O |
| Scan Speed (number) |
5 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
(17β)-4-chloro-17-methyl-androsta-1,4-diene-3,17-diol |
| Technique |
ATR-Neat |
