| SpectraBase Compound ID | KBwqOTzE7EG |
|---|---|
| InChI | InChI=1S/C27H35NO12/c1-4-14-15(9-17-20-13(5-6-18(31)21(20)32)7-8-28(17)12(2)30)16(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)19(10-29)39-27/h4-6,11,14-15,17,19,22-24,26-27,29,31-35H,1,7-10H2,2-3H3/t14-,15+,17-,19-,22-,23+,24-,26+,27+/m1/s1 |
| InChIKey | XNYSLIQSJYSIDP-BCAAKZKISA-N |
| Mol Weight | 565.6 g/mol |
| Molecular Formula | C27H35NO12 |
| Exact Mass | 565.215926 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lx2322ZDuL0 |
|---|---|
| Name | NEOIPECOSIDE |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H35NO12 |
| InChI | InChI=1S/C27H35NO12/c1-4-14-15(9-17-20-13(5-6-18(31)21(20)32)7-8-28(17)12(2)30)16(25(36)37-3)11-38-26(14)40-27-24(35)23(34)22(33)19(10-29)39-27/h4-6,11,14-15,17,19,22-24,26-27,29,31-35H,1,7-10H2,2-3H3/t14-,15+,17-,19-,22-,23+,24-,26+,27+/m1/s1 |
| InChIKey | XNYSLIQSJYSIDP-BCAAKZKISA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,30,3117(1991) |
| Literature Reference DOI | 10.1016/S0031-9422(00)98265-7 |
| Molecular Weight | 565.574 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN31061 |