| SpectraBase Spectrum ID |
2VQDjj0tQLI |
| Name |
16.alpha.-Bromo-3-hydroxy-11.beta.-ethoxyestra-1,3,5(10)-triene-17-one |
| Alternate Name(s) |
(11beta,16alpha)-16-bromo-11-ethoxy-3-hydroxyestra-1,3,5(10)-trien-17-one
(8S,9S,11S,13S,14S,16R)-16-bromanyl-11-ethoxy-13-methyl-3-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H25BrO3 |
| InChI |
InChI=1S/C20H25BrO3/c1-3-24-17-10-20(2)15(9-16(21)19(20)23)14-6-4-11-8-12(22)5-7-13(11)18(14)17/h5,7-8,14-18,22H,3-4,6,9-10H2,1-2H3/t14-,15-,16+,17-,18+,20-/m0/s1 |
| InChIKey |
ZYHABSOZBWTZTA-FMWJIXOUSA-N |
| Molecular Weight |
393.321 g/mol |
| SMILES |
Oc1ccc2c(c1)CC[C@]1([C@@]3(C[C@](C([C@@]3(C)C[C@@]([C@]21[H])(OCC)[H])=O)(Br)[H])[H])[H] |
| SPLASH |
splash10-07bb-0932000000-d9b8f6d338f90f1d97b5 |
| Source of Spectrum |
E1-36-268-4 |
| Wiley ID |
1574628 |
