| SpectraBase Spectrum ID |
Hv4ZeMis0wo |
| Name |
2,4-DIBROMO-17.ALPHA.-ETHYNYL-ESTRA-1,3,5(10)-TRIENE-3,17.BETA.-DIOL |
| Copyright |
Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
451.998655946 u |
| Formula |
C20H22Br2O2 |
| InChI |
InChI=1S/C20H22Br2O2/c1-3-20(24)9-7-15-12-4-5-13-14(10-16(21)18(23)17(13)22)11(12)6-8-19(15,20)2/h1,10-12,15,23-24H,4-9H2,2H3/t11-,12+,15-,19-,20-/m0/s1 |
| InChIKey |
TVZPJONPQWRVQV-QEIBRJLASA-N |
| Molecular Weight |
454.202 g/mol |
| Nominal Mass |
452 u |
| Number of Peaks |
286 |
| 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)C#C |
| SPLASH |
splash10-00xr-2239100000-74d08169fa614e5f640e |
| Source File Reference |
LMCM-68093-214P |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2,4-DIBROMO-17-ETHYNYLESTRA-1(10),2,4-TRIENE-3,17-DIOL
(8R,9S,13S,14S,17R)-2,4-dibromo-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_1480 |
