| SpectraBase Compound ID | 8n0DDzfnAC6 |
|---|---|
| InChI | InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | MNAYRSRTNMVAPR-OPEXUXIQSA-N |
| Mol Weight | 580.5 g/mol |
| Molecular Formula | C27H32O14 |
| Exact Mass | 580.179206 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JO7rjc0wMvk |
|---|---|
| Name | CASCAROSIDE-A |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H32O14 |
| InChI | InChI=1S/C27H32O14/c28-6-9-4-11-16(26-24(37)22(35)19(32)14(7-29)39-26)10-2-1-3-13(18(10)21(34)17(11)12(31)5-9)40-27-25(38)23(36)20(33)15(8-30)41-27/h1-5,14-16,19-20,22-33,35-38H,6-8H2/t14-,15-,16-,19-,20-,22+,23+,24-,25-,26+,27-/m1/s1 |
| InChIKey | MNAYRSRTNMVAPR-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 | 580.543 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWCP7007 |