| SpectraBase Compound ID | GtUMFjKLUAU |
|---|---|
| InChI | InChI=1S/C35H42O17/c1-8-25-26(15-29(41)43-7)27(33(42)44-14-13-23-9-11-24(12-10-23)47-19(3)37)16-46-34(25)52-35-32(50-22(6)40)31(49-21(5)39)30(48-20(4)38)28(51-35)17-45-18(2)36/h8-12,16,26,28,30-32,34-35H,13-15,17H2,1-7H3/b25-8-/t26-,28-,30-,31+,32-,34-,35+/m0/s1 |
| InChIKey | XAMLVPBKEVSNDH-ODYWDZIVSA-N |
| Mol Weight | 734.7 g/mol |
| Molecular Formula | C35H42O17 |
| Exact Mass | 734.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2MSlbWsxnA9 |
|---|---|
| Name | ISOLIGSTROSIDE-PENTAACETATE |
| Compound Number | 13A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C35H42O17 |
| InChI | InChI=1S/C35H42O17/c1-8-25-26(15-29(41)43-7)27(33(42)44-14-13-23-9-11-24(12-10-23)47-19(3)37)16-46-34(25)52-35-32(50-22(6)40)31(49-21(5)39)30(48-20(4)38)28(51-35)17-45-18(2)36/h8-12,16,26,28,30-32,34-35H,13-15,17H2,1-7H3/b25-8-/t26-,28-,30-,31+,32-,34-,35+/m0/s1 |
| InChIKey | XAMLVPBKEVSNDH-ODYWDZIVSA-N |
| Literature Reference Author | S.DAMTOFT,H.FRANZYK,S.R.JENSEN |
| Literature Reference Citation | PHYTOCHEM.,31,4197(1992) |
| Literature Reference DOI | 10.1016/0031-9422(92)80442-H |
| Molecular Weight | 734.708 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN26652 |