| SpectraBase Compound ID | BS1adBtNfzL |
|---|---|
| InChI | InChI=1S/C29H24N2O8/c1-38-21-13-19(26(33)22(24(21)30)28(35)36)18-12-20(32)25(31-14-16-8-4-2-5-9-16)23(27(18)34)29(37)39-15-17-10-6-3-7-11-17/h2-13,31,33H,14-15,30H2,1H3,(H,35,36) |
| InChIKey | WNVRJOKAJTXXNO-UHFFFAOYSA-N |
| Mol Weight | 528.52 g/mol |
| Molecular Formula | C29H24N2O8 |
| Exact Mass | 528.153266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HloqRMD957p |
|---|---|
| Name | 2-AMINO-5-(4-N-BENZYLAMINO-5-CARBOXYBENZYL-3,6-DIOXOCYCLOHEXA-1,4-DIENYL)-6-HYDROXY-3-METHOXYBENZOIC-ACID |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H24N2O8 |
| InChI | InChI=1S/C29H24N2O8/c1-38-21-13-19(26(33)22(24(21)30)28(35)36)18-12-20(32)25(31-14-16-8-4-2-5-9-16)23(27(18)34)29(37)39-15-17-10-6-3-7-11-17/h2-13,31,33H,14-15,30H2,1H3,(H,35,36) |
| InChIKey | WNVRJOKAJTXXNO-UHFFFAOYSA-N |
| Literature Reference Author | P.SPITELLER,W.STEGLICH |
| Literature Reference Citation | J.NAT.PROD.,65,725(2002) |
| Literature Reference DOI | 10.1021/np0106541 |
| Molecular Weight | 528.518 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWSI4213 |