| SpectraBase Spectrum ID |
AA5SVEKqFCl |
| Name |
21H-Biline-3,8,12,17-tetrapropanoic acid, 1,19,22,24-tetrahydro-2,7,13,18-tetramethyl-1,19-dioxo-, tetramethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
730.321393687 u |
| Formula |
C39H46N4O10 |
| InChI |
InChI=1S/C39H46N4O10/c1-20-24(9-13-34(44)50-5)30(40-28(20)17-32-26(11-15-36(46)52-7)22(3)38(48)42-32)19-31-25(10-14-35(45)51-6)21(2)29(41-31)18-33-27(12-16-37(47)53-8)23(4)39(49)43-33/h17-19,40H,9-16H2,1-8H3,(H,42,48)(H,43,49)/b31-19-,32-17+,33-18+ |
| InChIKey |
MFYXFBMJQBOVMV-IWKSLQDOSA-N |
| Molecular Weight |
730.815 g/mol |
| SMILES |
C1(=N\C(C(=C1C)CCC(=O)OC)=C\C=1NC(\C=C/2C(=C(C)C(N2)=O)CCC(=O)OC)=C(C1CCC(=O)OC)C)\C=C/1C(=C(C)C(N1)=O)CCC(=O)OC |
