| SpectraBase Spectrum ID |
5o8UK30VGif |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-[4-[2-(methylamino)-4-nitrophenoxy]butoxy]- |
| Alternate Name(s) |
3-{4-[2-(methylamino)-4-nitrophenoxy]butoxy}estra-1,3,5(10)-trien-17-one
Estrone 4-(2-methylamino-4-nitrophenoxy)butyl ether |
| CAS Registry Number |
107953-98-0 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H36N2O5 |
| InChI |
InChI=1S/C29H36N2O5/c1-29-14-13-23-22-9-7-21(17-19(22)5-8-24(23)25(29)10-12-28(29)32)35-15-3-4-16-36-27-11-6-20(31(33)34)18-26(27)30-2/h6-7,9,11,17-18,23-25,30H,3-5,8,10,12-16H2,1-2H3/t23-,24-,25+,29+/m1/s1 |
| InChIKey |
UCMQPKRDLLBNAE-ANARSLNQSA-N |
| Molecular Weight |
492.616 g/mol |
| SMILES |
N(c1cc(N(=O)=O)ccc1OCCCCOc1ccc2[C@]3(CC[C@]4([C@]([C@@]3(CCc2c1)[H])(CCC4=O)[H])C)[H])C |
| SPLASH |
splash10-0006-9503000000-48f9027b64646b273971 |
| Source of Spectrum |
F-42-4082-16 |
| Wiley ID |
1397615 |
![Estra-1,3,5(10)-trien-17-one, 3-[4-[2-(methylamino)-4-nitrophenoxy]butoxy]-](/api/spectrum/5o8UK30VGif/structure.png?h=300&w=458 "Estra-1,3,5(10)-trien-17-one, 3-[4-[2-(methylamino)-4-nitrophenoxy]butoxy]-")
