| SpectraBase Spectrum ID |
LGK55RSP2gS |
| Name |
2-BROMO-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 |
416.098707662 u |
| Formula |
C22H25BrO3 |
| InChI |
InChI=1S/C22H25BrO3/c1-4-22(25)10-8-18-16-6-5-14-11-20(26-13(2)24)19(23)12-17(14)15(16)7-9-21(18,22)3/h1,11-12,15-16,18,25H,5-10H2,2-3H3/t15-,16+,18-,21-,22-/m0/s1 |
| InChIKey |
KYISBMVSGOCCIT-HIFDQRORSA-N |
| Molecular Weight |
417.343 g/mol |
| Nominal Mass |
416 u |
| Number of Peaks |
79 |
| SMILES |
O[C@]1(CC[C@]2([C@@]3(CCc4cc(c(cc4[C@]3(CC[C@]12C)[H])Br)OC(C)=O)[H])[H])C#C |
| SPLASH |
splash10-0096-1298000000-14ae8b3ca2a61af9d1e7 |
| Source File Reference |
LMCM-95337-963D |
| Source of Spectrum |
Dr. Makin, London Hospital Medical College, UK |
| Synonyms |
2-BROMO-17-ETHYNYL-17-HYDROXYESTRA-1(10),2,4-TRIEN-3-YL ACETATE
(8R,9S,13S,14S,17R)-2-bromo-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_1496 |
