| SpectraBase Spectrum ID |
9zgdYsdjQwu |
| Name |
Estra-1,3,5(10)-trien-17-ol, 4-bromo-3-(2-methoxyethoxy)-, (17.beta.)- |
| CAS Registry Number |
123715-83-3 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29BrO3 |
| InChI |
InChI=1S/C21H29BrO3/c1-21-10-9-14-13-5-7-18(25-12-11-24-2)20(22)16(13)4-3-15(14)17(21)6-8-19(21)23/h5,7,14-15,17,19,23H,3-4,6,8-12H2,1-2H3/t14-,15-,17+,19+,21+/m1/s1 |
| InChIKey |
PCXINJAKXMZAEX-QDOULVBYSA-N |
| Molecular Weight |
409.364 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCCOC)c4Br)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-0a4i-8000900000-3f0eaa7303ba98ff893a |
| Source of Spectrum |
B-42-415-13 |
| Synonyms |
(17beta)-4-bromo-3-(2-methoxyethoxy)estra-1,3,5(10)-trien-17-ol
4-Bromoestra-1,3,5(10)-triene-3,17..beta.-diol 3-methoxyethyl ether |
| Wiley ID |
1372879 |
