| SpectraBase Spectrum ID |
5O0pNptF40K |
| Name |
2,4-DIBROMO-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
427.998655946 u |
| Formula |
C18H22Br2O2 |
| InChI |
InChI=1S/C18H22Br2O2/c1-18-7-6-9-10(13(18)4-5-15(18)21)2-3-11-12(9)8-14(19)17(22)16(11)20/h8-10,13,15,21-22H,2-7H2,1H3/t9-,10+,13-,15-,18-/m0/s1 |
| InChIKey |
UTXNYGUZJLLOSP-ZICKVNAASA-N |
| Molecular Weight |
430.180 g/mol |
| Nominal Mass |
428 u |
| Number of Peaks |
64 |
| SMILES |
O[C@@]1([C@]2(CC[C@@]3(c4cc(c(c(c4CC[C@]3([C@@]2(CC1)[H])[H])Br)O)Br)[H])C)[H] |
| SPLASH |
splash10-001i-2048900000-17f947be489eaa75df80 |
| Source File Reference |
LMCM-46592-565F |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2,4-DIBROMOESTRA-1,3,5(10)-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17S)-2,4-dibromo-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol |
| Wiley ID |
4_1933 |
