| SpectraBase Spectrum ID |
2e1qzDeQVPw |
| Name |
3-O-Propargylestrone |
| Alternate Name(s) |
(8R,9S,13S,14S)-13-methyl-3-(prop-2-yn-1-yloxy)-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H24O2 |
| InChI |
InChI=1S/C21H24O2/c1-3-12-23-15-5-7-16-14(13-15)4-6-18-17(16)10-11-21(2)19(18)8-9-20(21)22/h1,5,7,13,17-19H,4,6,8-12H2,2H3/t17-,18-,19+,21+/m1/s1 |
| InChIKey |
YXIFHNDBZBDLLV-BNDYYXHWSA-N |
| Literature Reference DOI |
10.1021/ol801313g |
| Molecular Weight |
308.421 g/mol |
| SMILES |
c1c2[C@@]3([C@](CCc2cc(c1)OCC#C)([H])[C@]1([C@](CC3)(C(CC1)=O)C)[H])[H] |
| SPLASH |
splash10-0a4l-1914000000-da18cdc6fe3c4fd00646 |
| Source of Spectrum |
A1-10-3555/SMSI6-arb1 |
| Wiley ID |
1759702 |
