| SpectraBase Spectrum ID |
j1tvbvFIKv |
| Name |
3.BETA.-HYDROXY-5.ALPHA.-PREGN-16-ENE-20-ONE |
| CAS Registry Number |
566-61-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
316.240230268 u |
| Formula |
C21H32O2 |
| InChI |
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h6,14-16,18-19,23H,4-5,7-12H2,1-3H3/t14-,15-,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey |
SFXPZLCQRZASKK-CKBUFISISA-N |
| Molecular Weight |
316.485 g/mol |
| Nominal Mass |
316 u |
| Number of Peaks |
87 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CC[C@]2(C1)[H])[H])[H])C(C)=O)C)[H])C)[H] |
| SPLASH |
splash10-00r6-9543000000-66c227cc5df52a29d670 |
| Source File Reference |
LMCM-93720-048A |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYPREGN-16-EN-20-ONE
1-((3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,10,11,12,13,14,15-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_271 |
