| SpectraBase Spectrum ID |
ISx1hwCUCkl |
| Name |
(13S,16S,17S)-16-(3-Bromopropyl)-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 |
392.135093172 u |
| Formula |
C21H29BrO2 |
| InChI |
InChI=1S/C21H29BrO2/c1-21-9-8-17-16-7-5-15(23)11-13(16)4-6-18(17)19(21)12-14(20(21)24)3-2-10-22/h5,7,11,14,17-20,23-24H,2-4,6,8-10,12H2,1H3/t14-,17?,18?,19?,20-,21-/m0/s1 |
| InChIKey |
NKYWUIDJPNFZAP-CMNURJFISA-N |
| Molecular Weight |
393.365 g/mol |
| SMILES |
[C@@]12(C(C3CCC4=C(C3CC2)C=CC(O)=C4)C[C@@]([C@@]1(O)[H])(CCCBr)[H])C |
![(13S,16S,17S)-16-(3-bromopropyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol](/api/spectrum/ISx1hwCUCkl/structure.png?h=300&w=458 "(13S,16S,17S)-16-(3-bromopropyl)-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3,17-diol")
