| SpectraBase Spectrum ID |
Dvt1WvQNjXq |
| Name |
PREGN-4-ENE-3,20-DIONE, 11,21-DIHYDROXY-, (11.BETA.)- |
| CAS Registry Number |
50-22-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
346.214409442 u |
| Formula |
C21H30O4 |
| InChI |
InChI=1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey |
OMFXVFTZEKFJBZ-HJTSIMOOSA-N |
| Molecular Weight |
346.467 g/mol |
| Nominal Mass |
346 u |
| Number of Peaks |
287 |
| SMILES |
OCC([C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C=C4CC[C@]3([C@@]2(CC1)[H])[H])=O)C)[H])(O)[H])C)[H])=O |
| SPLASH |
splash10-014i-8953000000-207b13eebe28bb25ea10 |
| Source File Reference |
LMCM-70057-860H |
| Source of Spectrum |
Prof. D. Henneberg, MPI f. Kohlenforschung, Muelheim a.d.R., Germany |
| Synonyms |
11.BETA.,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE
11,21-DIHYDROXYPREGN-4-ENE-3,20-DIONE
(1S,2R,10S,11S,14S,15S,17S)-17-hydroxy-14-(2-hydroxyacetyl)-2,15-dimethyltetracyclo[8.7.0.0(2,7).0(11,15)]heptadec-6-en-5-one |
| Wiley ID |
8_39885 |
