| SpectraBase Spectrum ID |
751ffP9ivqj |
| Name |
Estra-1,3,5(10)-triene-3,17-diol, 4-bromo-2-methoxy-, (17.beta.)- |
| Alternate Name(s) |
(17beta)-4-bromo-2-methoxyestra-1,3,5(10)-triene-3,17-diol
4-Bromo-2-methoxyestra-1,3,5(10)-triene-3,17.beta.-diol
4-Bromo-2-methoxyestradiol |
| CAS Registry Number |
97515-50-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H25BrO3 |
| InChI |
InChI=1S/C19H25BrO3/c1-19-8-7-10-11(14(19)5-6-16(19)21)3-4-12-13(10)9-15(23-2)18(22)17(12)20/h9-11,14,16,21-22H,3-8H2,1-2H3/t10-,11+,14-,16-,19-/m0/s1 |
| InChIKey |
HSOZJTLDAJTRLU-REICZXOASA-N |
| Molecular Weight |
381.310 g/mol |
| SMILES |
Oc1c(c2c([C@]3(CC[C@@]4([C@](CC[C@]4([C@@]3(CC2)[H])[H])(O)[H])C)[H])cc1OC)Br |
| SPLASH |
splash10-0ue9-0009000000-cf6d9493d5d63876513c |
| Source of Spectrum |
B-42-428-5 |
| Wiley ID |
1359610 |
