| SpectraBase Spectrum ID |
2MELEUxhBY |
| Name |
17.alpha.-(Hydroxymethylethynyl)estra-1,3,5(10)-trien-3,17.beta.-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H26O3 |
| InChI |
InChI=1S/C21H26O3/c1-20-10-7-17-16-6-4-15(23)13-14(16)3-5-18(17)19(20)8-11-21(20,24)9-2-12-22/h4,6,13,17-19,22-24H,3,5,7-8,10-12H2,1H3/t17-,18-,19+,20+,21+/m1/s1 |
| InChIKey |
KPQSURCKSFDYIS-MJCUULBUSA-N |
| Molecular Weight |
326.436 g/mol |
| SMILES |
O[C@@]1(C#CCO)CC[C@]2([C@@]3(CCc4cc(ccc4[C@]3(CC[C@]12C)[H])O)[H])[H] |
| SPLASH |
splash10-004l-0079000000-454bba75e0e59064aac7 |
| Source of Spectrum |
QF-8-5248-18 |
| Synonyms |
(17beta)-17-(3-hydroxy-1-propynyl)estra-1,3,5(10)-triene-3,17-diol
(8R,9S,13S,14S,17S)-13-methyl-17-(3-oxidanylprop-1-ynyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
1558063 |
