| SpectraBase Compound ID | 9qDOBMC5SI1 |
|---|---|
| InChI | InChI=1S/C22H26N10O2.2ClH/c23-21-29-9-15(31-21)17-11(7-27-19(33)13-3-1-5-25-13)12(18(17)16-10-30-22(24)32-16)8-28-20(34)14-4-2-6-26-14;;/h1-6,9-12,17-18,25-26H,7-8H2,(H,27,33)(H,28,34)(H3,23,29,31)(H3,24,30,32);2*1H/t11-,12-,17-,18-;;/m1../s1 |
| InChIKey | DAVDNNXCCMUSGM-WUYIMCQSSA-N |
| Mol Weight | 535.44 g/mol |
| Molecular Formula | C22H28Cl2N10O2 |
| Exact Mass | 534.177376 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KBy4eL16a21 |
|---|---|
| Name | DEBrOMOSCEPTRIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C22H28Cl2N10O2 |
| InChI | InChI=1S/C22H26N10O2.2ClH/c23-21-29-9-15(31-21)17-11(7-27-19(33)13-3-1-5-25-13)12(18(17)16-10-30-22(24)32-16)8-28-20(34)14-4-2-6-26-14;;/h1-6,9-12,17-18,25-26H,7-8H2,(H,27,33)(H,28,34)(H3,23,29,31)(H3,24,30,32);2*1H/t11-,12-,17-,18-;;/m1../s1 |
| InChIKey | DAVDNNXCCMUSGM-WUYIMCQSSA-N |
| Literature Reference Author | X.SHEN,T.L.PERRY,C.D.DUNBAR,M.KELLY-BORGES,M.T.HAMANN |
| Literature Reference Citation | J.NAT.PROD.,61,1302(1998) |
| Literature Reference DOI | 10.1021/np980129a |
| Molecular Weight | 535.436 g/mol |
| Solvent | D2O |
| Source File Reference | UWCS20411 |