SpectraBase Spectrum ID |
3oPryVVwakn |
Name |
11.BETA.,21-DIHYDROXY-5.BETA.-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+/m1/s1 |
InChIKey |
CTTOFMJLOGMZRN-BBWLNIHDSA-N |
Molecular Weight |
348.483 g/mol |
Nominal Mass |
348 u |
Number of Peaks |
71 |
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-7559000000-5044bf1d757deccef221 |
Source File Reference |
LMCM-32331-504C |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
11,21-DIHYDROXYPREGNANE-3,20-DIONE
(5R,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_347 |