| SpectraBase Spectrum ID |
867PhJSYFmn |
| Name |
18,19,20-Triazatetracyclo[13.2.1.13,6.18,11]eicosa-3,5,8,10,15,17-hexaene-4,9,16-tripropanoic acid, 13,13-dicyano-5,10,17-tris(2-methoxy-2-oxoethyl)-, trimethyl ester |
| Alternate Name(s) |
1,14-(2,2-Dicyanopropane-1,3-diyl)-2,7,12-tris(2-methoxycar-bonylethyl)-3,8,13-tris(methoxycarbonylmethyl)-10,15,16,17-tetrahydro-5H-tripyrrin
methyl 3-[13,13-dicyano-4,9,16-tris(2-methoxy-2-oxoethyl)-5,17-bis(3-methoxy-3-oxopropyl)-18,19,20-triazatetracyclo[13.2.1.1(3,6).1(8,11)]icosa-1(17),3,5,8,10,15-hexaen-10-yl]propanoate |
| CAS Registry Number |
101210-37-1 |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C40H47N5O12 |
| InChI |
InChI=1S/C40H47N5O12/c1-52-34(46)10-7-22-25(13-37(49)55-4)30-17-29-23(8-11-35(47)53-2)27(15-39(51)57-6)33(44-29)19-40(20-41,21-42)18-32-24(9-12-36(48)54-3)26(14-38(50)56-5)31(45-32)16-28(22)43-30/h43-45H,7-19H2,1-6H3 |
| InChIKey |
CVPMAMSLLOXOFH-UHFFFAOYSA-N |
| Molecular Weight |
789.839 g/mol |
| SMILES |
[nH]1c2Cc3c(c(c(Cc4c(c(c(CC(Cc1c(c2CC(=O)OC)CCC(=O)OC)(C#N)C#N)[nH]4)CC(=O)OC)CCC(=O)OC)[nH]3)CC(=O)OC)CCC(=O)OC |
| SPLASH |
splash10-0udi-0000000900-09b3fc0cab4d32570783 |
| Source of Spectrum |
KC-1988-1196-41 |
| Wiley ID |
1417011 |
