| SpectraBase Spectrum ID |
H0xfGUNTYsg |
| Name |
17.ALPHA.-ETHYNYL-5.ALPHA.-ESTRAN-17.BETA.-OL-3-ONE |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
300.208930140 u |
| Formula |
C20H28O2 |
| InChI |
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,13,15-18,22H,4-12H2,2H3/t13-,15-,16+,17+,18-,19-,20-/m0/s1 |
| InChIKey |
OMGILQMNIZWNOK-XDQPPUBWSA-N |
| Molecular Weight |
300.442 g/mol |
| Nominal Mass |
300 u |
| Number of Peaks |
120 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CC[C@]4(CC(CC[C@@]4([C@]3(CC[C@]12C)[H])[H])=O)[H])[H])[H])C#C |
| SPLASH |
splash10-0fsl-8691000000-f89b6cb4f9fe9e8ab3da |
| Source File Reference |
LMCM-96130-864R |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-ETHYNYL-17-HYDROXYESTRAN-3-ONE
(5S,8R,9R,10S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyltetradecahydro-1H-cyclopenta[a]phenanthren-3(2H)-one |
| Wiley ID |
4_1559 |
