| SpectraBase Spectrum ID |
hoZ8BKC1Su |
| Name |
5.BETA.-PREGNAN-3,12,20-TRIONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
330.219494823 u |
| Formula |
C21H30O3 |
| InChI |
InChI=1S/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h13,15-18H,4-11H2,1-3H3/t13-,15+,16-,17+,18+,20+,21-/m1/s1 |
| InChIKey |
PCTFUNUQNHEEEB-RYIDSSIKSA-N |
| Molecular Weight |
330.468 g/mol |
| Nominal Mass |
330 u |
| Number of Peaks |
124 |
| SMILES |
C1(CC[C@@]2([C@]3(CC([C@@]4([C@](CC[C@]4([C@@]3(CC[C@@]2(C1)[H])[H])[H])(C(C)=O)[H])C)=O)[H])C)=O |
| SPLASH |
splash10-001l-9524000000-392ecb4834e8b18a47bf |
| Source File Reference |
LMCM-93195-228Y |
| Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
| Synonyms |
PREGNANE-3,12,20-TRIONE
(5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyldodecahydro-1H-cyclopenta[a]phenanthrene-3,12(2H,4H)-dione |
| Wiley ID |
4_547 |
