| SpectraBase Spectrum ID |
5T6kay44oZN |
| Name |
11.BETA.,17.ALPHA.,21-TRIHYDROXY-PREGN-4-ENE-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
362.209324061 u |
| Formula |
C21H30O5 |
| InChI |
InChI=1S/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3/t14-,15-,16-,18+,19-,20-,21-/m0/s1 |
| InChIKey |
JYGXADMDTFJGBT-VWUMJDOOSA-N |
| Molecular Weight |
362.466 g/mol |
| Nominal Mass |
362 u |
| Number of Peaks |
194 |
| SMILES |
OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3([C@](C[C@]12C)(O)[H])[H])C)=O)[H])[H])O)=O |
| SPLASH |
splash10-01ox-7964000000-5aa3d47b626b5b377f1b |
| Source File Reference |
LMCM-35255-325W |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
11,17,21-TRIHYDROXYPREGN-4-ENE-3,20-DIONE
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_222 |
