| SpectraBase Compound ID | JZ27OLFrser |
|---|---|
| InChI | InChI=1S/C31H40N4O8S2.2Na/c1-7-20-18(5)30(36)34-26(20)13-24-16(3)22(9-11-44(38,39)40)28(32-24)15-29-23(10-12-45(41,42)43)17(4)25(33-29)14-27-21(8-2)19(6)31(37)35-27;;/h13-14,32-33H,7-12,15H2,1-6H3,(H,34,36)(H,35,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b26-13-,27-14-;; |
| InChIKey | HKHSSXQQNSLPIO-PDQJREFDSA-L |
| Mol Weight | 704.8 g/mol |
| Molecular Formula | C31H38N4Na2O8S2 |
| Exact Mass | 704.192645 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDRQKTC0jMC |
|---|---|
| Name | 8,12-BIS-(2-ETHANESULFONIC-ACID-SODIUM-SALT)-3,17-DIETHYL-2,7,13,18-TETRAMETHYL-(10H,21H,23H,24H)-BILIN-1,19-DIONE;SODIUM-SALT-OF-BIS-SULFON |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H38N4Na2O8S2 |
| InChI | InChI=1S/C31H40N4O8S2.2Na/c1-7-20-18(5)30(36)34-26(20)13-24-16(3)22(9-11-44(38,39)40)28(32-24)15-29-23(10-12-45(41,42)43)17(4)25(33-29)14-27-21(8-2)19(6)31(37)35-27;;/h13-14,32-33H,7-12,15H2,1-6H3,(H,34,36)(H,35,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2/b26-13-,27-14-;; |
| InChIKey | HKHSSXQQNSLPIO-PDQJREFDSA-L |
| Literature Reference Author | S.E.BOIADJIEV,D.A.LIGHTNER |
| Literature Reference Citation | MH.CHEM.,132,1201(2001) |
| Literature Reference DOI | 10.1007/s007060170035 |
| Molecular Weight | 704.764 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWSI3333 |