| SpectraBase Spectrum ID |
L4E1z7RdM96 |
| Name |
Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.246437845 u |
| 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(CCC4=C([C@]3(CC2)[H])C=CC(OCCCCOC=2C(=CC(N(=O)=O)=CC2)OC)=C4)[H])(CCC1=O)[H])C |
![Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]-](/api/spectrum/L4E1z7RdM96/structure.png?h=300&w=458 "Estra-1,3,5(10)-trien-17-one, 3-[4-(2-methoxy-4-nitrophenoxy)butoxy]-")
