| SpectraBase Spectrum ID |
E81kYgz0ysg |
| Name |
(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl (E)-4'-methylpent-2'-enoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
493.322580167 u |
| Formula |
C28H47NO4S |
| InChI |
InChI=1S/C28H47NO4S/c1-21(2)15-16-26(30)33-25-19-22-17-18-28(25,27(22,3)4)20-34(31,32)29(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h15-16,21-25H,5-14,17-20H2,1-4H3/b16-15+/t22-,25-,28-/m1/s1 |
| InChIKey |
PUJFAYCCZFXPER-PFORBABDSA-N |
| Molecular Weight |
493.747 g/mol |
| SMILES |
C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@@]12C([C@]([H])(CC2)C[C@]1(OC(\C=C\C(C)C)=O)[H])(C)C |
![(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl (E)-4'-methylpent-2'-enoate](/api/spectrum/E81kYgz0ysg/structure.png?h=300&w=458 "(1S,2R,4R)-1-(N,N-Dicyclohexylaminosulfonylmethyl)-7,7-dimethylbicyclo[2.2.1]hepta-2-yl (E)-4'-methylpent-2'-enoate")
