| SpectraBase Spectrum ID |
254oWA0ygBK |
| Name |
4-Methyl-17-trichloroacetoxy-1-deutero-1,3,5(10)-estratriene |
| CAS Registry Number |
55281-95-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24DCl3O2 |
| InChI |
InChI=1S/C21H25Cl3O2/c1-12-4-3-5-14-13(12)6-7-16-15(14)10-11-20(2)17(16)8-9-18(20)26-19(25)21(22,23)24/h3-5,15-18H,6-11H2,1-2H3/t15-,16-,17+,18?,20+/m1/s1/i5D |
| InChIKey |
JMSFTRWEJOALJD-RLRLQTCFSA-N |
| Molecular Weight |
416.794 g/mol |
| SMILES |
c1cc(c2[C@]3(CC[C@@]4(C(CC[C@]4([C@@]3(CCc2c1C)[H])[H])OC(=O)C(Cl)(Cl)Cl)C)[H])[2D] |
| SPLASH |
splash10-0560-4907000000-e27dee77512dad468c9a |
| Source of Spectrum |
JX-2015-6-233 |
| Wiley ID |
1727779 |
