| SpectraBase Compound ID | gNMoA1Enz3 |
|---|---|
| InChI | InChI=1S/C35H46O14/c1-9-16(2)25(37)47-19-13-20(46-17(3)36)32-15-45-34(42-8,27(38)41-7)26(32)30(5)24(22-23(32)29(19,4)14-44-22)49-31(6)18-12-21(35(30,31)40)48-28-33(18,39)10-11-43-28/h9-11,18-24,26,28,39-40H,12-15H2,1-8H3/b16-9+/t18-,19-,20+,21+,22-,23+,24-,26+,28+,29-,30-,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | BLAIECFCUANTLG-VMBNEGJRSA-N |
| Mol Weight | 690.7 g/mol |
| Molecular Formula | C35H46O14 |
| Exact Mass | 690.288756 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KHWp9EAD2Y5 |
|---|---|
| Name | MELIACARPININ-C |
| Compound Number | 47 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H46O14 |
| InChI | InChI=1S/C35H46O14/c1-9-16(2)25(37)47-19-13-20(46-17(3)36)32-15-45-34(42-8,27(38)41-7)26(32)30(5)24(22-23(32)29(19,4)14-44-22)49-31(6)18-12-21(35(30,31)40)48-28-33(18,39)10-11-43-28/h9-11,18-24,26,28,39-40H,12-15H2,1-8H3/b16-9+/t18-,19-,20+,21+,22-,23+,24-,26+,28+,29-,30-,31-,32+,33+,34+,35+/m1/s1 |
| InChIKey | BLAIECFCUANTLG-VMBNEGJRSA-N |
| Literature Reference Author | M.NAKATANI |
| Literature Reference Citation | HETEROCYCLES,50,595(1999) |
| Literature Reference DOI | 10.3987/REV-98-SR(H)5 |
| Molecular Weight | 690.742 g/mol |
| Solvent | Unknown |
| Source File Reference | UWRU2926 |