| SpectraBase Spectrum ID |
FN5xj6Jw5Pg |
| Name |
(1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione |
| Alternate Name(s) |
4-(4'-Bromobutyl)-4,8,11,11-tetramethyl-2-(phenylmethoxy)bicyclo[5.3.1]undec-7-ene-3,9-dione |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H35BrO3 |
| InChI |
InChI=1S/C26H35BrO3/c1-18-20-12-14-26(4,13-8-9-15-27)24(29)23(21(16-22(18)28)25(20,2)3)30-17-19-10-6-5-7-11-19/h5-7,10-11,21,23H,8-9,12-17H2,1-4H3/t21-,23+,26-/m1/s1 |
| InChIKey |
NSDQIIGAWHHUPK-VIICAESSSA-N |
| Molecular Weight |
475.467 g/mol |
| SMILES |
C1=2C([C@]([C@](OCc3ccccc3)(C([C@@](CC1)(CCCCBr)C)=O)[H])([H])CC(C2C)=O)(C)C |
| SPLASH |
splash10-0a4l-3219000000-d8b254e081b7a0ed864b |
| Source of Spectrum |
B-57-64-44 |
| Wiley ID |
1551391 |
![(1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione](/api/spectrum/FN5xj6Jw5Pg/structure.png?h=300&w=458 "(1S,2S,4R)-2-(benzyloxy)-4-(4-bromobutyl)-4,8,11,11-tetramethylbicyclo[5.3.1]undec-7-ene-3,9-dione")
