| SpectraBase Spectrum ID |
IbHx6c4nWgs |
| Name |
Benzenepropanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)- |
| CAS Registry Number |
110508-12-8 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C31H47NO4S |
| InChI |
InChI=1S/C31H47NO4S/c1-30(2)25-20-21-31(30,28(22-25)36-29(33)19-18-24-12-6-3-7-13-24)23-37(34,35)32(26-14-8-4-9-15-26)27-16-10-5-11-17-27/h3,6-7,12-13,25-28H,4-5,8-11,14-23H2,1-2H3/t25-,28+,31-/m0/s1 |
| InChIKey |
BIOLOCPWKMGTDF-AAUBNCJJSA-N |
| Molecular Weight |
529.780 g/mol |
| SMILES |
C(S(N(C1CCCCC1)C1CCCCC1)(=O)=O)[C@]12C([C@@](CC2)(C[C@]1(OC(=O)CCc1ccccc1)[H])[H])(C)C |
| SPLASH |
splash10-0a5l-8931000000-f1f09b821adb8bab9501 |
| Source of Spectrum |
F-44-5550-7 |
| Synonyms |
(1S)-1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl 3-phenylpropanoate
[(1S,2R)-10-(N,N-dicyclohexylaminosulfonyl)bron-2-yl]3-phenylpropionate |
| Wiley ID |
1403221 |
![Benzenepropanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-](/api/spectrum/IbHx6c4nWgs/structure.png?h=300&w=458 "Benzenepropanoic acid, 1-[[(dicyclohexylamino)sulfonyl]methyl]-7,7-dimethylbicyclo[2.2.1]hept-2-yl ester, (1S-exo)-")
