| SpectraBase Spectrum ID |
FSnmeQn4TEW |
| Name |
(13S,16S,17S)-16-(2-Bromoethyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[A]phenanthrene-3,17-diol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.119443107 u |
| Formula |
C20H27BrO2 |
| InChI |
InChI=1S/C20H27BrO2/c1-20-8-6-16-15-5-3-14(22)10-12(15)2-4-17(16)18(20)11-13(7-9-21)19(20)23/h3,5,10,13,16-19,22-23H,2,4,6-9,11H2,1H3/t13-,16?,17?,18?,19+,20+/m1/s1 |
| InChIKey |
WELBFZAQJQOAGJ-RRYXWJBZSA-N |
| Molecular Weight |
379.338 g/mol |
| SMILES |
[C@@]12(C(C3CCC4=C(C3CC2)C=CC(O)=C4)C[C@]([C@@]1(O)[H])(CCBr)[H])C |
![(13S,16S,17S)-16-(2-bromoethyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/FSnmeQn4TEW/structure.png?h=300&w=458 "(13S,16S,17S)-16-(2-bromoethyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
