SpectraBase Spectrum ID |
Aj7hB6hSlt3 |
Name |
PREGN-5-ENE, 3.BETA.,16.ALPHA.,20.BETA.-TRIOL- |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
334.250794952 u |
Formula |
C21H34O3 |
InChI |
InChI=1S/C21H34O3/c1-12(22)19-18(24)11-17-15-5-4-13-10-14(23)6-8-20(13,2)16(15)7-9-21(17,19)3/h4,12,14-19,22-24H,5-11H2,1-3H3/t12-,14-,15+,16-,17-,18+,19-,20-,21-/m0/s1 |
InChIKey |
BBYKCTWGEWBSOL-CNJDONEHSA-N |
Molecular Weight |
334.500 g/mol |
Nominal Mass |
334 u |
Number of Peaks |
147 |
SMILES |
O[C@]1([C@@]([C@]2(CC[C@@]3([C@]4(CC[C@@](CC4=CC[C@]3([C@@]2(C1)[H])[H])(O)[H])C)[H])C)([C@](C)(O)[H])[H])[H] |
SPLASH |
splash10-0a59-6943000000-098efc8fba162f6458f3 |
Source File Reference |
LMCM-85549-115N |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
3.BETA.,16.ALPHA.,20.BETA.-TRIHYDROXY-PREGN-5-ENE
PREGN-5-ENE-3,16,20-TRIOL
(3S,8S,9S,10R,13S,14S,16R,17S)-17-((S)-1-hydroxyethyl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol |
Wiley ID |
4_341 |