| SpectraBase Spectrum ID |
FmmTRZolAKh |
| Name |
(8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Alternate Name(s) |
(8R,9S,13S,14S,16S,17R)-16-bromo-2-fluoro-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22BrFO2 |
| InChI |
InChI=1S/C18H22BrFO2/c1-18-5-4-10-11(13(18)8-14(19)17(18)22)3-2-9-6-16(21)15(20)7-12(9)10/h6-7,10-11,13-14,17,21-22H,2-5,8H2,1H3/t10-,11+,13-,14-,17-,18-/m0/s1 |
| InChIKey |
SUBDOAGRAWRWLA-PBEPODTISA-N |
| Molecular Weight |
369.274 g/mol |
| SMILES |
O[C@]1([C@](C[C@]2([C@@]3(CCc4c(cc(c(c4)O)F)[C@]3(CC[C@]12C)[H])[H])[H])(Br)[H])[H] |
| SPLASH |
splash10-01b9-0019000000-552ecc679f3f3ceded31 |
| Source of Spectrum |
E1-36-4261-9 |
| Wiley ID |
1574874 |
![(8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/FmmTRZolAKh/structure.png?h=300&w=458 "(8R,9S,13S,14S,16S,17R)-16-bromanyl-2-fluoranyl-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol")
