| SpectraBase Spectrum ID |
AWnhqiS9e16 |
| Name |
3-Ethoxy-2-nitro-2,3-secocholest-4-en-3-one |
| Alternate Name(s) |
Ethyl (2E)-[(3R,3aR,5aS,6R,9aS,9bS)-3-[(1R)-1,5-dimethylhexyl]-3a,6-dimethyl-6-(2-nitroethyl)dodecahydro-7H-cyclopenta[a]naphthalen-7-ylidene]ethanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C29H49NO4 |
| InChI |
InChI=1S/C29H49NO4/c1-7-34-27(31)19-22-11-12-23-25-14-13-24(21(4)10-8-9-20(2)3)29(25,6)16-15-26(23)28(22,5)17-18-30(32)33/h19-21,23-26H,7-18H2,1-6H3/b22-19+/t21-,23+,24-,25+,26+,28+,29-/m1/s1 |
| InChIKey |
LAQNQDSXLIOPQY-WHMIIXFDSA-N |
| Molecular Weight |
475.714 g/mol |
| SMILES |
[C@@]12([C@]([C@@]3(CC\C([C@@]([C@]3(CC2)[H])(CCN(=O)=O)C)=C/C(=O)OCC)[H])(CC[C@@]1([C@@](CCCC(C)C)(C)[H])[H])[H])C |
| SPLASH |
splash10-0piu-9303400000-197cb839457b6c8b9a56 |
| Source of Spectrum |
AJ-62-1344-3 |
| Wiley ID |
1394149 |
