| SpectraBase Spectrum ID |
13gTCYm668z |
| Name |
5.BETA.-PREGNAN-3.ALPHA.,20-BETA,21-TRIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
336.266445016 u |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h13-19,22-24H,3-12H2,1-2H3/t13-,14-,15+,16+,17+,18-,19+,20+,21+/m1/s1 |
| InChIKey |
KTOAERDTKFSYSF-SUTVCERISA-N |
| Molecular Weight |
336.516 g/mol |
| Nominal Mass |
336 u |
| Number of Peaks |
83 |
| SMILES |
OC[C@@]([C@]1(CC[C@]2([C@@]3(CC[C@@]4(C[C@@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])[H])[H])(O)[H] |
| SPLASH |
splash10-000i-8693000000-3a8e3d278c6c37a346a4 |
| Source File Reference |
LMCM-68673-806M |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,20,21-TRIOL
(R)-1-((3R,5R,8R,9S,10S,13S,14S,17S)-3-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethane-1,2-diol |
| Wiley ID |
4_371 |
