| SpectraBase Compound ID | JSGrXxhQvBc |
|---|---|
| InChI | InChI=1S/C25H36O12/c1-12(6-8-26)4-3-5-13(2)22(32)35-20-14-7-9-33-23(16(14)25(11-28)21(20)37-25)36-24-19(31)18(30)17(29)15(10-27)34-24/h5-7,9,14-21,23-24,26-31H,3-4,8,10-11H2,1-2H3/b12-6+,13-5+/t14-,15-,16-,17-,18+,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey | IAGZLJOLJLDXTL-NLXSLLBDSA-N |
| Mol Weight | 528.6 g/mol |
| Molecular Formula | C25H36O12 |
| Exact Mass | 528.220677 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kji0i3Ubw5W |
|---|---|
| Name | NEMOROSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C25H36O12 |
| InChI | InChI=1S/C25H36O12/c1-12(6-8-26)4-3-5-13(2)22(32)35-20-14-7-9-33-23(16(14)25(11-28)21(20)37-25)36-24-19(31)18(30)17(29)15(10-27)34-24/h5-7,9,14-21,23-24,26-31H,3-4,8,10-11H2,1-2H3/b12-6+,13-5+/t14-,15-,16-,17-,18+,19-,20+,21+,23+,24+,25-/m1/s1 |
| InChIKey | IAGZLJOLJLDXTL-NLXSLLBDSA-N |
| Literature Reference Author | P.JUNIOR |
| Literature Reference Citation | PLANTA.MED.,57,181(1991) |
| Literature Reference DOI | 10.1055/s-2006-960061 |
| Molecular Weight | 528.554 g/mol |
| Solvent | CD3OD |
| Source File Reference | UIAP99 |