| SpectraBase Spectrum ID |
CU8fra0T4qe |
| Name |
3.BETA.-HYDROXY-PREGNA-5,16-DIENE-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
314.224580204 u |
| Formula |
C21H30O2 |
| InChI |
InChI=1S/C21H30O2/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/h4,6,15-16,18-19,23H,5,7-12H2,1-3H3/t15-,16-,18-,19-,20-,21+/m0/s1 |
| InChIKey |
YLFRRPUBVUAHSR-RRPFGEQOSA-N |
| Molecular Weight |
314.469 g/mol |
| Nominal Mass |
314 u |
| Number of Peaks |
127 |
| SMILES |
O[C@]1(CC[C@@]2([C@]3(CC[C@@]4(C(=CC[C@]4([C@@]3(CC=C2C1)[H])[H])C(C)=O)C)[H])C)[H] |
| SPLASH |
splash10-01ox-9843000000-767867b07e64d4f9651b |
| Source File Reference |
LMCM-48935-492C |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3-HYDROXYPREGNA-5,16-DIEN-20-ONE
1-((3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone |
| Wiley ID |
4_373 |
