SpectraBase Spectrum ID |
GoYIlAGImz |
Name |
E-10-Dicyclohexylsulfamoyl-D-isobornyl 4-Hydroxyhept-2-enoate |
Alternate Name(s) |
1-{[(dicyclohexylamino)sulfonyl]methyl}-7,7-dimethylbicyclo[2.2.1]hept-2-yl (2E)-4-hydroxy-2-heptenoate |
Comments |
Less than 3 mono-isotopic peaks |
Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C29H49NO5S |
InChI |
InChI=1S/C29H49NO5S/c1-4-11-25(31)16-17-27(32)35-26-20-22-18-19-29(26,28(22,2)3)21-36(33,34)30(23-12-7-5-8-13-23)24-14-9-6-10-15-24/h16-17,22-26,31H,4-15,18-21H2,1-3H3/b17-16+/t22-,25?,26-,29-/m1/s1 |
InChIKey |
QJHFUTXCBSGSKN-JFQLUXKSSA-N |
Molecular Weight |
523.773 g/mol |
SMILES |
OC(\C=C\C(O[C@]1([C@@]2(CS(N(C3CCCCC3)C3CCCCC3)(=O)=O)C([C@](CC2)(C1)[H])(C)C)[H])=O)CCC |
SPLASH |
splash10-004i-0900000000-636c38271ab2d7923c04 |
Source of Spectrum |
F-47-6614-10 |
Wiley ID |
1402404 |