SpectraBase Spectrum ID |
86UyijrD9Y4 |
Name |
17.ALPHA.-HYDROXY-19-NOR-PREGN-4-ENE-3,20-DIONE |
Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
316.203844759 u |
Formula |
C20H28O3 |
InChI |
InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1 |
InChIKey |
GTFUITFQDGVJSK-XGXHKTLJSA-N |
Molecular Weight |
316.441 g/mol |
Nominal Mass |
316 u |
Number of Peaks |
77 |
SMILES |
O[C@@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])C(C)=O |
SPLASH |
splash10-00xu-6492000000-f0c820d1556f8cf86589 |
Source File Reference |
LMCM-11541-013F |
Source of Spectrum |
Prof. Spiteller, University Bayreuth, Germany |
Synonyms |
1-(17-HYDROXY-3-OXOESTR-4-EN-17-YL)ETHANONE
(8R,9S,10R,13S,14S,17R)-17-acetyl-17-hydroxy-13-methyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
Wiley ID |
4_248 |