| SpectraBase Spectrum ID |
I7htbxOfA1Q |
| Name |
2,4-DIBROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(3-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
494.009220630 u |
| Formula |
C22H24Br2O3 |
| InChI |
InChI=1S/C22H24Br2O3/c1-4-22(26)10-8-17-14-5-6-15-16(13(14)7-9-21(17,22)3)11-18(23)20(19(15)24)27-12(2)25/h1,11,13-14,17,26H,5-10H2,2-3H3/t13-,14+,17-,21-,22-/m0/s1 |
| InChIKey |
KBGLXCAMWTYZKT-ZTYQMOJCSA-N |
| Molecular Weight |
496.239 g/mol |
| Nominal Mass |
494 u |
| Number of Peaks |
142 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCc4c(c(c(cc4[C@]3(CC[C@]12C)[H])Br)OC(C)=O)Br)[H])[H])C#C |
| SPLASH |
splash10-0udi-1014900000-e0895d1ed5e226a3efe4 |
| Source File Reference |
LMCM-68154-711R |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2,4-DIBROMO-17-ETHYNYL-17-HYDROXYESTRA-1,3,5(10)-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-2,4-dibromo-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_1932 |
