| SpectraBase Spectrum ID |
8w03XyuP7h6 |
| Name |
11.BETA.,21-DIHYDROXY-5.ALPHA.-PREGNAN-3,20-DIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
348.230059506 u |
| Formula |
C21H32O4 |
| InChI |
InChI=1S/C21H32O4/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/h12,14-17,19,22,24H,3-11H2,1-2H3/t12-,14-,15-,16+,17-,19+,20-,21-/m0/s1 |
| InChIKey |
CTTOFMJLOGMZRN-DYWNTJRHSA-N |
| Molecular Weight |
348.483 g/mol |
| Nominal Mass |
348 u |
| Number of Peaks |
63 |
| SMILES |
OCC([C@@]1([C@]2(C[C@@]([C@@]3([C@]4(CCC(C[C@@]4(CC[C@]3([C@@]2(CC1)[H])[H])[H])=O)C)[H])(O)[H])C)[H])=O |
| SPLASH |
splash10-014i-9738000000-de89b4d269292d8f1904 |
| Source File Reference |
LMCM-22722-997E |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
11,21-DIHYDROXYPREGNANE-3,20-DIONE
(5S,8S,9S,10S,11S,13S,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_346 |
