| SpectraBase Spectrum ID |
H5ZPvmh10F0 |
| Name |
17.BETA.-HYDROXY-17.ALPHA.-PREGN-4-ENE-20-IN-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
312.208930140 u |
| Formula |
C21H28O2 |
| InChI |
InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey |
CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| Molecular Weight |
312.453 g/mol |
| Nominal Mass |
312 u |
| Number of Peaks |
147 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])C#C |
| SPLASH |
splash10-06xx-6931000000-4706843d95bc5a704b68 |
| Source File Reference |
LMCM-70677-155P |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
17-HYDROXYPREGN-4-EN-20-YN-3-ONE
(8R,9S,10R,13S,14S,17R)-17-ethynyl-17-hydroxy-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_261 |
