| SpectraBase Compound ID | Hh0gIfrwTrI |
|---|---|
| InChI | InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | PZTVNHKDWVHORF-ZXBUYACVSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Hkbk1KfcrVj |
|---|---|
| Name | OROBANCHOSIDE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)28(42-12)45-27-25(40)26(44-21(36)7-3-13-2-5-15(31)17(33)8-13)20(10-30)43-29(27)41-11-19(35)14-4-6-16(32)18(34)9-14/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20+,22-,23+,24+,25-,26+,27+,28-,29+/m1/s1 |
| InChIKey | PZTVNHKDWVHORF-ZXBUYACVSA-N |
| Literature Reference Author | M.S.AFIFI,M.F.LAHLOUB,S.A.EL-KHAYAAT,C.G.ANKLIN,H.RUEGGER,O. STICHER |
| Literature Reference Citation | PLANTA.MED.,59,359(1993) |
| Literature Reference DOI | 10.1055/s-2006-959701 |
| Molecular Weight | 640.595 g/mol |
| Solvent | DMSO-D6:CF3COOH |
| Source File Reference | UIAP477 |