| SpectraBase Compound ID | 5cBQBh9NLeN |
|---|---|
| InChI | InChI=1S/C28H37NO12/c1-5-15-17(9-19-16-10-20(32)21(37-3)8-14(16)6-7-29(19)13(2)31)18(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)22(11-30)40-28/h5,8,10,12,15,17,19,22-25,27-28,30,32-35H,1,6-7,9,11H2,2-4H3/t15-,17+,19-,22-,23-,24+,25-,27+,28+/m1/s1 |
| InChIKey | ATLQWGMCZKUALF-OHLPZASCSA-N |
| Mol Weight | 579.6 g/mol |
| Molecular Formula | C28H37NO12 |
| Exact Mass | 579.231576 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8snGK2609m3 |
|---|---|
| Name | 6-O-METHYL-IPECOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C28H37NO12 |
| InChI | InChI=1S/C28H37NO12/c1-5-15-17(9-19-16-10-20(32)21(37-3)8-14(16)6-7-29(19)13(2)31)18(26(36)38-4)12-39-27(15)41-28-25(35)24(34)23(33)22(11-30)40-28/h5,8,10,12,15,17,19,22-25,27-28,30,32-35H,1,6-7,9,11H2,2-4H3/t15-,17+,19-,22-,23-,24+,25-,27+,28+/m1/s1 |
| InChIKey | ATLQWGMCZKUALF-OHLPZASCSA-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 | 579.601 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN31060 |