| SpectraBase Spectrum ID |
K9FrE3JsYF9 |
| Name |
17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL |
| CAS Registry Number |
57-63-6 |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
296.177630011 u |
| Formula |
C20H24O2 |
| InChI |
InChI=1S/C20H24O2/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/h1,5,7,12,16-18,21-22H,4,6,8-11H2,2H3/t16-,17-,18+,19+,20+/m1/s1 |
| InChIKey |
BFPYWIDHMRZLRN-SLHNCBLASA-N |
| Molecular Weight |
296.410 g/mol |
| Nominal Mass |
296 u |
| Number of Peaks |
79 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4ccc(cc4CC[C@]3([C@@]2(CC1)[H])[H])O)[H])C)C#C |
| SPLASH |
splash10-03di-2590000000-2b886c2a2a2a91e82eec |
| Source File Reference |
LMCM-36315-211D |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
ETHYNYLESTRADIOL
ETHINYL ESTRADIOL
17-ETHYNYLESTRA-1,3,5(10)-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17R)-17-ethynyl-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1460 |
