| SpectraBase Spectrum ID |
JKFytSww8Cf |
| 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 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| 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 |
Oc1ccc2c(CCC3C4[C@@]([C@]([C@@](C4)(CCBr)[H])(O)[H])(CCC23)C)c1 |
| SPLASH |
splash10-003r-0719000000-219f2bb17f20d9709930 |
| Source of Spectrum |
G2-3-515-9 |
| Synonyms |
2-[3',17'.beta.-Dihydroxy-1',3',5'(10')-estratrien-16'-.alpha.-yl]-bromoethane
2-[3,17.beta.-dihydroxy-1,3,5(10)-estratrien-16-.alpha.-yl]-bromoethane |
| Wiley ID |
1661470 |
![(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/JKFytSww8Cf/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")
