| SpectraBase Spectrum ID |
LVLeyiEZfjf |
| Name |
Estra-1,3,5(10)-triene-4-carboxaldehyde, 17-hydroxy-3-(2-methoxyethoxy)-, (17.beta.)- |
| CAS Registry Number |
123715-84-4 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H30O4 |
| InChI |
InChI=1S/C22H30O4/c1-22-10-9-16-14-5-7-20(26-12-11-25-2)18(13-23)15(14)3-4-17(16)19(22)6-8-21(22)24/h5,7,13,16-17,19,21,24H,3-4,6,8-12H2,1-2H3/t16-,17-,19+,21+,22+/m1/s1 |
| InChIKey |
HBXSSBHCIWXUPG-AJYQEWAOSA-N |
| Molecular Weight |
358.478 g/mol |
| SMILES |
O[C@@]1([C@@]2([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCCOC)c4C=O)[H])(CC1)[H])C)[H] |
| SPLASH |
splash10-0a4i-9006000000-0c87c903e23e4d16baa9 |
| Source of Spectrum |
B-42-416-14 |
| Synonyms |
(17beta)-17-hydroxy-3-(2-methoxyethoxy)estra-1,3,5(10)-triene-4-carbaldehyde
17.beta.-hydroxy-3-methoxyethoxyestra-1,3,5(10)-triene-4-carbaldehyde |
| Wiley ID |
1347310 |
