| SpectraBase Spectrum ID |
AkzkqatvfCd |
| Name |
3-Ethynyl-3,17beta-Androstanediol |
| Alternate Name(s) |
(3S,5S,8R,9S,10S,13S,14S,17S)-3-ethynyl-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-4-21(23)12-11-19(2)14(13-21)5-6-15-16-7-8-18(22)20(16,3)10-9-17(15)19/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15-,16-,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
FOCZFVYLRBKYGM-QKSWPAOXSA-N |
| Molecular Weight |
316.485 g/mol |
| SMILES |
O[C@@]1(C[C@]2([C@@]([C@@]3([C@]([C@]4([C@@]([C@](CC4)(O)[H])(CC3)C)[H])(CC2)[H])[H])(CC1)C)[H])C#C |
| SPLASH |
splash10-000i-0190000000-dbdffabdb9ac052f8214 |
| Source of Spectrum |
A1-17-2808/SM8-8_5 |
| Wiley ID |
1807048 |
