| SpectraBase Spectrum ID |
89kYR5O4ddk |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]- |
| Alternate Name(s) |
3-(4-(2-methoxy-4-nitrophenoxy)-butyl)-estrone
3-[4-(2-methoxy-4-nitrophenoxy)butoxy]estra-1,3,5(10)-trien-17-one
Estrone 4-(2-methoxy-4-nitrophenoxy)butyl ether |
| CAS Registry Number |
107968-00-3 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H35NO6 |
| InChI |
InChI=1S/C29H35NO6/c1-29-14-13-23-22-9-7-21(17-19(22)5-8-24(23)25(29)10-12-28(29)31)35-15-3-4-16-36-26-11-6-20(30(32)33)18-27(26)34-2/h6-7,9,11,17-18,23-25H,3-5,8,10,12-16H2,1-2H3/t23-,24-,25+,29+/m1/s1 |
| InChIKey |
HWRKOZOEJABDPO-ANARSLNQSA-N |
| Molecular Weight |
493.600 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CCc4c([C@]3(CC2)[H])ccc(OCCCCOc2c(cc(N(=O)=O)cc2)OC)c4)[H])(CCC1=O)[H])C |
| SPLASH |
splash10-00di-9727000000-0f1883d117347cb7be03 |
| Source of Spectrum |
F-42-4080-12 |
| Wiley ID |
1397740 |
![Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]-](/api/spectrum/89kYR5O4ddk/structure.png?h=300&w=458 "Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]-")
