| SpectraBase Spectrum ID |
G42FrsELsmd |
| Name |
(1S,2R,4S,1'R,2'R,1''S,2"R,4"S)-N-{trans-2'-[2"-Hydroxy-7",7"-dimethylbicyclo[2.2.1]hept-1"-ylmethylsulfonamino]-1',2'-diphenylethyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide |
| Alternate Name(s) |
[(1S,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]-N-{(1R,2S)-2-[({[(1R,2R,4S)-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-yl]methyl}sulfonyl)amino]-1,2-diphenylethyl}methanesulfonamide |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C34H48N2O6S2 |
| InChI |
InChI=1S/C34H48N2O6S2/c1-31(2)25-15-17-33(31,27(37)19-25)21-43(39,40)35-29(23-11-7-5-8-12-23)30(24-13-9-6-10-14-24)36-44(41,42)22-34-18-16-26(20-28(34)38)32(34,3)4/h5-14,25-30,35-38H,15-22H2,1-4H3/t25-,26-,27+,28+,29-,30+,33-,34+/m0/s1 |
| InChIKey |
LPBDKWPCIPRZQX-OKBVGKOQSA-N |
| Molecular Weight |
644.886 g/mol |
| SMILES |
O[C@@]1(C[C@]2(C([C@@]1(CS(N[C@@]([C@@](NS(C[C@]13[C@@](C[C@](C3(C)C)([H])CC1)(O)[H])(=O)=O)(c1ccccc1)[H])(c1ccccc1)[H])(=O)=O)CC2)(C)C)[H])[H] |
| SPLASH |
splash10-0a4i-0900000000-75439a0031093554f078 |
| Source of Spectrum |
QE-12-4440-6 |
| Wiley ID |
1587046 |
![(1S,2R,4S,1'R,2'R,1''S,2"R,4"S)-N-{trans-2'-[2"-Hydroxy-7",7"-dimethylbicyclo[2.2.1]hept-1"-ylmethylsulfonamino]-1',2'-diphenylethyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide](/api/spectrum/G42FrsELsmd/structure.png?h=300&w=458 "(1S,2R,4S,1'R,2'R,1''S,2\"R,4\"S)-N-{trans-2'-[2\"-Hydroxy-7\",7\"-dimethylbicyclo[2.2.1]hept-1\"-ylmethylsulfonamino]-1',2'-diphenylethyl}-2-hydroxy-7,7-dimethylbicyclo[2.2.1]hept-1-ylmethanesulfonamide")
