| SpectraBase Spectrum ID |
JZ3NH1PcJWh |
| Name |
2,4-DIBROMO-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL(17.BETA.-ACETATE) |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
470.009220630 u |
| Formula |
C20H24Br2O3 |
| InChI |
InChI=1S/C20H24Br2O3/c1-10(23)25-19-16(21)9-14-11-7-8-20(2)15(5-6-17(20)24)12(11)3-4-13(14)18(19)22/h9,11-12,15,17,24H,3-8H2,1-2H3/t11-,12+,15-,17-,20-/m0/s1 |
| InChIKey |
RFQGZWMZXYDVOE-BFRPBLBHSA-N |
| Molecular Weight |
472.217 g/mol |
| Nominal Mass |
470 u |
| Number of Peaks |
103 |
| 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])[H] |
| SPLASH |
splash10-00di-1014900000-a0cd0c8069e0613d1020 |
| Source File Reference |
LMCM-98494-234Z |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2,4-DIBROMO-3-HYDROXYESTRA-1(10),2,4-TRIEN-17-YL ACETATE
(8R,9S,13S,14S,17S)-2,4-dibromo-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_1482 |
