| SpectraBase Spectrum ID |
6OXsO6ArPAc |
| Name |
3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-5.BETA.-PREGNANE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
336.266445016 u |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h13-18,22-24H,4-12H2,1-3H3/t13-,14+,15+,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
SCPADBBISMMJAW-UHHUKTEYSA-N |
| Molecular Weight |
336.516 g/mol |
| Nominal Mass |
336 u |
| Number of Peaks |
108 |
| SMILES |
O[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])O)(C)[H] |
| SPLASH |
splash10-052f-9580000000-4f74ce56baaf6cc6389e |
| Source File Reference |
LMCM-21574-617T |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
5.BETA.-PREGNANE-3.ALPHA.,17.ALPHA.,20.ALPHA.-TRIOL
PREGNANE-3,17,20-TRIOL
(3R,5R,8R,9S,10S,13S,14S,17R)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_243 |
