| SpectraBase Compound ID | 9mPVQ0eHzdH |
|---|---|
| InChI | InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3/t12-,13+,17-,20?,21+,22+,23-,24+,26+,27-/m0/s1 |
| InChIKey | IZNGUQUMRJUVTA-MBNSQHKJSA-N |
| Mol Weight | 581.6 g/mol |
| Molecular Formula | C27H35NO13 |
| Exact Mass | 581.21084 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DmLJiYBc3XT |
|---|---|
| Name | (4R)-4-HYDROXYIPECOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H35NO13 |
| InChI | InChI=1S/C27H35NO13/c1-4-12-13(5-17-14-6-18(31)19(32)7-15(14)20(33)8-28(17)11(2)30)16(25(37)38-3)10-39-26(12)41-27-24(36)23(35)22(34)21(9-29)40-27/h4,6-7,10,12-13,17,20-24,26-27,29,31-36H,1,5,8-9H2,2-3H3/t12-,13+,17-,20?,21+,22+,23-,24+,26+,27-/m0/s1 |
| InChIKey | IZNGUQUMRJUVTA-MBNSQHKJSA-N |
| Literature Reference Author | A.ITOH,Y.BABA,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,59,91(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(01)00418-6 |
| Molecular Weight | 581.574 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2507 |