| SpectraBase Spectrum ID |
Cuy3UUoYoLr |
| Name |
5.ALPHA.-PREGNAN-3.ALPHA.,20.BETA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
320.271530397 u |
| Formula |
C21H36O2 |
| InChI |
InChI=1S/C21H36O2/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/h13-19,22-23H,4-12H2,1-3H3/t13-,14-,15+,16-,17+,18-,19-,20-,21+/m0/s1 |
| InChIKey |
YWYQTGBBEZQBGO-CGVINKDUSA-N |
| Molecular Weight |
320.517 g/mol |
| Nominal Mass |
320 u |
| Number of Peaks |
81 |
| SMILES |
O[C@]([C@@]1([C@]2(CC[C@@]3([C@]4(CC[C@](C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])C)[H])(C)[H] |
| SPLASH |
splash10-001i-7982000000-b066bb8e005e3c809440 |
| Source File Reference |
LMCM-88389-271F |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,20-DIOL
(3R,5S,8R,9S,10S,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| Wiley ID |
4_386 |
