| SpectraBase Spectrum ID |
Bl0bL6aO6s0 |
| Name |
3-Hydroxy-17-bromo-16,17-seco-estra-1,3,5(10)-triene-16-nitrile |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrNO |
| InChI |
InChI=1S/C18H22BrNO/c1-18(11-19)8-6-15-14-5-3-13(21)10-12(14)2-4-16(15)17(18)7-9-20/h3,5,10,15-17,21H,2,4,6-8,11H2,1H3/t15-,16-,17?,18-/m1/s1 |
| InChIKey |
CXBSBUJZDORUGF-KTBGXXAUSA-N |
| Molecular Weight |
348.284 g/mol |
| SMILES |
Oc1ccc2[C@@]3([C@](C(CC#N)[C@](CC3)(CBr)C)(CCc2c1)[H])[H] |
| SPLASH |
splash10-0002-0209000000-736dcb26b1e56364474c |
| Source of Spectrum |
Y5-64-395-5 |
| Synonyms |
[(2S,4aS,10aR)-2-(bromomethyl)-7-hydroxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]acetonitrile |
| Wiley ID |
879432 |
