| SpectraBase Spectrum ID |
GCzkzB0bCwl |
| Name |
17-Bromo-3-methoxy-16-(.beta.-nitroethenyl)estra-1,3,5(10),16-tetraene |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24BrNO3 |
| InChI |
InChI=1S/C21H24BrNO3/c1-21-9-7-17-16-6-4-15(26-2)11-13(16)3-5-18(17)19(21)12-14(20(21)22)8-10-23(24)25/h4,6,8,10-11,17-19H,3,5,7,9,12H2,1-2H3/b10-8+/t17-,18-,19+,21+/m1/s1 |
| InChIKey |
VKHQWVVWVYEHDL-QUEMMIHHSA-N |
| Molecular Weight |
418.331 g/mol |
| SMILES |
c1(ccc2c(c1)CC[C@]1([C@@]3(CC(=C([C@@]3(C)CC[C@]21[H])Br)\C=C\N(=O)=O)[H])[H])OC |
| SPLASH |
splash10-014i-0000900000-049522dcffdd571d6dd5 |
| Source of Spectrum |
Y2-25-1106-3 |
| Synonyms |
17-bromo-3-methoxy-16-[(E)-2-nitroethenyl]estra-1,3,5(10),16-tetraene |
| Wiley ID |
1547191 |
