| SpectraBase Spectrum ID |
4D5bXmu1QLi |
| Name |
3-Hydroxy-17-methyl-17-oxo-16,17-seco-estra-1,3,5(10)-triene-16-nitrile |
| Alternate Name(s) |
[(2S,4aS,10aR)-2-acetyl-7-hydroxy-2-methyl-1,2,3,4,4a,9,10,10a-octahydro-1-phenanthrenyl]acetonitrile |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H23NO2 |
| InChI |
InChI=1S/C19H23NO2/c1-12(21)19(2)9-7-16-15-6-4-14(22)11-13(15)3-5-17(16)18(19)8-10-20/h4,6,11,16-18,22H,3,5,7-9H2,1-2H3/t16-,17-,18?,19-/m1/s1 |
| InChIKey |
XUTAMYKFWJTOEK-XGNHVKOBSA-N |
| Molecular Weight |
297.398 g/mol |
| SMILES |
Oc1ccc2[C@]3(CC[C@@](C([C@@]3(CCc2c1)[H])CC#N)(C(=O)C)C)[H] |
| SPLASH |
splash10-0006-9060000000-350f5a26be155577b557 |
| Source of Spectrum |
Y2-70-65-3 |
| Wiley ID |
1587466 |
