| SpectraBase Compound ID | 2Z5k8YHO43V |
|---|---|
| InChI | InChI=1S/C37H57N7O8/c1-8-21(5)29-36(51)43-31(23(7)45)37(52)44-17-13-16-26(44)33(48)41-28(20(3)4)34(49)42-30(22(6)9-2)35(50)39-25(18-24-14-11-10-12-15-24)32(47)38-19-27(46)40-29/h10-12,14-15,20-23,25-26,28-31,45H,8-9,13,16-19H2,1-7H3,(H,38,47)(H,39,50)(H,40,46)(H,41,48)(H,42,49)(H,43,51) |
| InChIKey | QGGGNYCMKLVXKB-UHFFFAOYSA-N |
| Mol Weight | 727.9 g/mol |
| Molecular Formula | C37H57N7O8 |
| Exact Mass | 727.426862 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6HD54JSvd1v |
|---|---|
| Name | HETEROPHYLLIN-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H57N7O8 |
| InChI | InChI=1S/C37H57N7O8/c1-8-21(5)29-36(51)43-31(23(7)45)37(52)44-17-13-16-26(44)33(48)41-28(20(3)4)34(49)42-30(22(6)9-2)35(50)39-25(18-24-14-11-10-12-15-24)32(47)38-19-27(46)40-29/h10-12,14-15,20-23,25-26,28-31,45H,8-9,13,16-19H2,1-7H3,(H,38,47)(H,39,50)(H,40,46)(H,41,48)(H,42,49)(H,43,51) |
| InChIKey | QGGGNYCMKLVXKB-UHFFFAOYSA-N |
| Literature Reference Author | T.NING-HUA,Z.JUN,C.CHANG-XIANG,Z.SHOU-XUN |
| Literature Reference Citation | PHYTOCHEM.,32,1327(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95114-8 |
| Molecular Weight | 727.902 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU6512 |