| SpectraBase Spectrum ID |
XRaqvNp1oo |
| Name |
(1S,2R,3R,4R,5S,6R)-1,2,3,5-etraiacetoxy-4-acetylamino-6-(Z-2'-cyano-2'-tert-butylmercaptoethenyl)aminocyclohexane |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C23H33N3O9S |
| InChI |
InChI=1S/C23H33N3O9S/c1-7-8-9-36-17(10-24)11-25-18-20(32-13(3)28)19(26-12(2)27)22(34-15(5)30)23(35-16(6)31)21(18)33-14(4)29/h11,18-23,25H,7-9H2,1-6H3,(H,26,27)/b17-11-/t18-,19-,20+,21+,22-,23+/m1/s1 |
| InChIKey |
JJUCIUHSNQBXMP-YSNJOZELSA-N |
| Molecular Weight |
527.589 g/mol |
| SMILES |
N([C@]1([C@@]([C@@]([C@@]([C@@]([C@]1(OC(=O)C)[H])(NC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])\C=C\(C#N)SCCCC |
| SPLASH |
splash10-0006-9000000000-b15b1950e021513ff2e5 |
| Source of Spectrum |
QC-1-414-22 |
| Wiley ID |
882799 |
