| SpectraBase Spectrum ID |
9rGNJ8AOZG2 |
| Name |
Estra-1,3,5(10)-triene-2-carboxaldehyde, 3-hydroxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)- |
| Alternate Name(s) |
(17beta)-2-formyl-3-hydroxyestra-1,3,5(10)-trien-17-yl trifluoroacetate
2-Formyl-3-hydroxyestra-1,3,5(10)-trien-17..beta.-yl trifluoroacetate |
| CAS Registry Number |
123715-81-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H23F3O4 |
| InChI |
InChI=1S/C21H23F3O4/c1-20-7-6-13-14(3-2-11-9-17(26)12(10-25)8-15(11)13)16(20)4-5-18(20)28-19(27)21(22,23)24/h8-10,13-14,16,18,26H,2-7H2,1H3/t13?,14?,16?,18-,20-/m0/s1 |
| InChIKey |
LMMHNKVJLCSYOJ-SGWAGJQKSA-N |
| Molecular Weight |
396.406 g/mol |
| SMILES |
Oc1cc2c(C3CC[C@]4(C(C3CC2)CC[C@@]4(OC(C(F)(F)F)=O)[H])C)cc1C=O |
| SPLASH |
splash10-0f6t-8966000000-d58c18e76d49ab0e84d9 |
| Source of Spectrum |
B-42-415-9 |
| Wiley ID |
1367410 |
![Estra-1,3,5(10)-triene-2-carboxaldehyde, 3-hydroxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)-](/api/spectrum/9rGNJ8AOZG2/structure.png?h=300&w=458 "Estra-1,3,5(10)-triene-2-carboxaldehyde, 3-hydroxy-17-[(trifluoroacetyl)oxy]-, (17.beta.)-")
