| SpectraBase Spectrum ID |
ETMiuZnQYLn |
| Name |
17.ALPHA.,21-DIHYDROXY-PREGNA-1,4-DIENE-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
344.198759378 u |
| Formula |
C21H28O4 |
| InChI |
InChI=1S/C21H28O4/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/h5,8,11,15-17,22,25H,3-4,6-7,9-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1 |
| InChIKey |
BVAYTJBBDODANA-OBQKJFGGSA-N |
| Molecular Weight |
344.451 g/mol |
| Nominal Mass |
344 u |
| Number of Peaks |
101 |
| SMILES |
OCC([C@]1(CC[C@]2([C@@]3(CCC4=CC(C=C[C@@]4([C@]3(CC[C@]12C)[H])C)=O)[H])[H])O)=O |
| SPLASH |
splash10-00dl-4920000000-a82c6e7ebab791bf9b80 |
| Source File Reference |
LMCM-29746-648S |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
17,21-DIHYDROXYPREGNA-1,4-DIENE-3,20-DIONE
(8R,9S,10R,13S,14S,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-3-one |
| Wiley ID |
4_148 |
