| SpectraBase Spectrum ID |
9lZ8rGb7kXx |
| Name |
ESTR-4-ENE-17.BETA.-OL-3-ONE |
| CAS Registry Number |
434-22-0 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
274.193280075 u |
| Formula |
C18H26O2 |
| InChI |
InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h10,13-17,20H,2-9H2,1H3/t13-,14+,15+,16-,17-,18-/m0/s1 |
| InChIKey |
NPAGDVCDWIYMMC-IZPLOLCNSA-N |
| Molecular Weight |
274.404 g/mol |
| Nominal Mass |
274 u |
| Number of Peaks |
134 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCC4=CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])[H] |
| SPLASH |
splash10-0229-4950000000-4c5a863f8d9a3ddee69e |
| Source File Reference |
LMCM-24640-516K |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-HYDROXYESTR-4-EN-3-ONE
(8R,9S,10R,13S,14S,17S)-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_2096 |
