| SpectraBase Spectrum ID |
H5LHSvN5Ucr |
| Name |
3.BETA.,17.ALPHA.,20.ALPHA.-TRIHYDROXY-PREGN-5-ENE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
334.250794952 u |
| Formula |
C21H34O3 |
| InChI |
InChI=1S/C21H34O3/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/h4,13,15-18,22-24H,5-12H2,1-3H3/t13-,15-,16+,17-,18-,19-,20-,21-/m0/s1 |
| InChIKey |
XGUQCUDPXSTKLI-PUOFRWEFSA-N |
| Molecular Weight |
334.500 g/mol |
| Nominal Mass |
334 u |
| Number of Peaks |
133 |
| SMILES |
O[C@]([C@]1(CC[C@]2([C@@]3(CC=C4C[C@](CC[C@@]4([C@]3(CC[C@]12C)[H])C)(O)[H])[H])[H])O)(C)[H] |
| SPLASH |
splash10-007c-5590000000-ef2c4d7e6cb710398bb3 |
| Source File Reference |
LMCM-65495-353M |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGN-5-ENE-3,17,20-TRIOL
(3S,8R,9S,10R,13S,14S,17R)-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-3,17-diol |
| Wiley ID |
4_241 |
