| SpectraBase Spectrum ID |
1muubFUo7Il |
| Name |
3.BETA.,17.ALPHA.,21-TRIHYDROXY-PREGN-5-ENE-20-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h3,14-17,22-23,25H,4-12H2,1-2H3/t14-,15+,16-,17-,19-,20-,21-/m0/s1 |
| InChIKey |
JNHJGXQUDOYJAK-IYRCEVNGSA-N |
| Molecular Weight |
348.483 g/mol |
| Nominal Mass |
348 u |
| Number of Peaks |
143 |
| SMILES |
OCC([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)=O |
| SPLASH |
splash10-052f-9861000000-44063036d55d2ed9ef5f |
| Source File Reference |
LMCM-56797-938K |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
3,17,21-TRIHYDROXYPREGN-5-EN-20-ONE
1-((3S,8R,9S,10R,13S,14S,17R)-3,17-dihydroxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-hydroxyethanone |
| Wiley ID |
4_238 |
