| SpectraBase Spectrum ID |
5jtb2umeUxV |
| Name |
ESTRA-1,3,5(10)-TRIENE-3-OL-16,17-DIONE |
| CAS Registry Number |
1228-73-5 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
284.141244501 u |
| Formula |
C18H20O3 |
| InChI |
InChI=1S/C18H20O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-15,19H,2,4,6-7,9H2,1H3/t13-,14-,15+,18+/m1/s1 |
| InChIKey |
ANPHVANSJXDRTP-BSXFFOKHSA-N |
| Molecular Weight |
284.355 g/mol |
| Nominal Mass |
284 u |
| Number of Peaks |
29 |
| SMILES |
Oc1ccc2[C@]3(CC[C@@]4(C(C(C[C@]4([C@@]3(CCc2c1)[H])[H])=O)=O)C)[H] |
| SPLASH |
splash10-08n9-1960000000-a854c5ac6f69494b1961 |
| Source File Reference |
LMCM-63471-002W |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
3-HYDROXYESTRA-1,3,5(10)-TRIENE-16,17-DIONE
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthrene-16,17-dione |
| Wiley ID |
4_1441 |
