| SpectraBase Compound ID | 8RiMFsYHvyh |
|---|---|
| InChI | InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | GQPFUOPPYJYZHE-OPEXUXIQSA-N |
| Mol Weight | 564.5 g/mol |
| Molecular Formula | C27H32O13 |
| Exact Mass | 564.184291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GbFdXZ5TYm2 |
|---|---|
| Name | CASCAROSIDE-D |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O13 |
| InChI | InChI=1S/C27H32O13/c1-9-5-11-16(26-24(36)22(34)19(31)14(7-28)38-26)10-3-2-4-13(18(10)21(33)17(11)12(30)6-9)39-27-25(37)23(35)20(32)15(8-29)40-27/h2-6,14-16,19-20,22-32,34-37H,7-8H2,1H3/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | GQPFUOPPYJYZHE-OPEXUXIQSA-N |
| Literature Reference Author | P.MANITTO,D.MONTI,G.SPERANZA,N.MULINACCI,F.F.VINCIERI,A.GRIF FINI,G.PIFFERI |
| Literature Reference Citation | J.CHEM.SOC.PERKIN-1,1577(1993) |
| Literature Reference DOI | 10.1039/p19930001577 |
| Molecular Weight | 564.543 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP7010 |