| SpectraBase Spectrum ID |
1X4tkYl67rg |
| Name |
17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3-ACETATE) |
| Copyright |
Copyright © 2011-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
338.188194694 u |
| Formula |
C22H26O3 |
| InChI |
InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3/t18-,19-,20+,21+,22+/m1/s1 |
| InChIKey |
WHONTIANOSNSAH-AANPDWTMSA-N |
| Molecular Weight |
338.447 g/mol |
| Nominal Mass |
338 u |
| Number of Peaks |
103 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCc4cc(ccc4[C@]3(CC[C@]12C)[H])OC(C)=O)[H])[H])C#C |
| SPLASH |
splash10-01ot-1390000000-70090b2da5e5d93178b5 |
| Source File Reference |
LMCM-85449-208L |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
17-ETHYNYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate |
| Wiley ID |
4_1922 |
