| SpectraBase Spectrum ID |
KhqnRryqQ6I |
| Name |
5.BETA.-PREGNAN-3.ALPHA.,11.BETA.,20.ALPHA.-TRIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
336.266445016 u |
| Formula |
C21H36O3 |
| InChI |
InChI=1S/C21H36O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h12-19,22-24H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18-,19+,20-,21+/m0/s1 |
| InChIKey |
CZHLKVQGWWCQEG-RQTZUPFWSA-N |
| Molecular Weight |
336.516 g/mol |
| Nominal Mass |
336 u |
| Number of Peaks |
145 |
| SMILES |
O[C@]([C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CC[C@](C[C@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])(O)[H])C)[H])(O)[H])C)[H])(C)[H] |
| SPLASH |
splash10-0f7p-9852000000-64f4a9bba87489643b56 |
| Source File Reference |
LMCM-47827-772X |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3.ALPHA.,11.BETA.,20.ALPHA.-TRIHYDROXY-5.ALPHA.-PREGNANE
PREGNANE-3,11,20-TRIOL
(3R,5R,8S,9S,10S,11S,13S,14S,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthrene-3,11-diol |
| Wiley ID |
4_350 |
