| SpectraBase Compound ID | E7mPNUwOIeh |
|---|---|
| InChI | InChI=1S/C22H21N5O4.C21H19N5O4.Zn/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15;1-30-17-8-4-13(5-9-17)10-15-12-26(11-14-2-6-16(27)7-3-14)20(22-15)23-18-19(28)25-21(29)24-18;/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,28,30);2-9,12H,10-11H2,1H3,(H3,22,23,24,25,27,28,29);/q;;+2/p-2 |
| InChIKey | VRAAJYPJBBKTEY-UHFFFAOYSA-L |
| Mol Weight | 888.22 g/mol |
| Molecular Formula | C43H38N10O8Zn |
| Exact Mass | 886.21655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3gf4SaoU8dL |
|---|---|
| Name | (ISONAAMIDINATO-B)-(ISONAAMIDINATO-D)-ZINC-II |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H38N10O8Zn |
| InChI | InChI=1S/C22H21N5O4.C21H19N5O4.Zn/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15;1-30-17-8-4-13(5-9-17)10-15-12-26(11-14-2-6-16(27)7-3-14)20(22-15)23-18-19(28)25-21(29)24-18;/h3-10,13H,11-12H2,1-2H3,(H2,23,24,25,28,30);2-9,12H,10-11H2,1H3,(H3,22,23,24,25,27,28,29);/q;;+2/p-2 |
| InChIKey | VRAAJYPJBBKTEY-UHFFFAOYSA-L |
| Literature Reference Author | X.FU,F.J.SCHMITZ,R.S.TANNER,M.KELLY-BORGES |
| Literature Reference Citation | J.NAT.PROD.,61,384(1998) |
| Literature Reference DOI | 10.1021/np970453q |
| Molecular Weight | 888.217 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWRK3256 |