| SpectraBase Spectrum ID |
63EO5adJE5d |
| Name |
(1R,2S,4S,1'R,2'R,1''R,2"S,4"R)-N-[trans-2'-[2"-Hydroxy-7",7"-dimethylbicyclo[2.2.1]hept-1"-ylmethylsulfonamino]cyclohexyl]-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide |
| Alternate Name(s) |
[(1R,2S,4R)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]-N-{(1R,2R)-2-[({[(1R,2S,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)amino]cyclohexyl}methanesulfonamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H46N2O6S2 |
| InChI |
InChI=1S/C26H46N2O6S2/c1-23(2)17-9-11-25(23,21(29)13-17)15-35(31,32)27-19-7-5-6-8-20(19)28-36(33,34)16-26-12-10-18(14-22(26)30)24(26,3)4/h17-22,27-30H,5-16H2,1-4H3/t17-,18+,19-,20-,21+,22+,25+,26+/m1/s1 |
| InChIKey |
KVVHJCZXSZVOLS-IHJBNMESSA-N |
| Molecular Weight |
546.782 g/mol |
| SMILES |
O[C@]1(C[C@@]2(C([C@]1(CS(N[C@]1([C@](NS(C[C@]34[C@](C[C@](C4(C)C)([H])CC3)(O)[H])(=O)=O)(CCCC1)[H])[H])(=O)=O)CC2)(C)C)[H])[H] |
| SPLASH |
splash10-000i-0900000000-4794786ad5cb37a0ca06 |
| Source of Spectrum |
QE-12-4440-6 |
| Wiley ID |
1587043 |
![(1R,2S,4S,1'R,2'R,1''R,2"S,4"R)-N-[trans-2'-[2"-Hydroxy-7",7"-dimethylbicyclo[2.2.1]hept-1"-ylmethylsulfonamino]cyclohexyl]-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide](/api/spectrum/63EO5adJE5d/structure.png?h=300&w=458 "(1R,2S,4S,1'R,2'R,1''R,2\"S,4\"R)-N-[trans-2'-[2\"-Hydroxy-7\",7\"-dimethylbicyclo[2.2.1]hept-1\"-ylmethylsulfonamino]cyclohexyl]-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide")
