| SpectraBase Compound ID | AFRSDMaQnAJ |
|---|---|
| InChI | InChI=1S/C31H54O6/c1-25(2,33)22-13-17-29(7)23(27(22,5)15-14-24(32)36-9)11-10-20-21(12-16-28(20,29)6)30(8)18-19-31(35,37-30)26(3,4)34/h20-23,33-35H,10-19H2,1-9H3/t20?,21-,22?,23?,27-,28+,29+,30-,31?/m0/s1 |
| InChIKey | KITPYFQOTMBDQC-GXRZYSILSA-N |
| Mol Weight | 522.8 g/mol |
| Molecular Formula | C31H54O6 |
| Exact Mass | 522.392039 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L8a644L87K |
|---|---|
| Name | AGLININ-B-METHYLESTER;MINOR-EPIMER |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H54O6 |
| InChI | InChI=1S/C31H54O6/c1-25(2,33)22-13-17-29(7)23(27(22,5)15-14-24(32)36-9)11-10-20-21(12-16-28(20,29)6)30(8)18-19-31(35,37-30)26(3,4)34/h20-23,33-35H,10-19H2,1-9H3/t20?,21-,22?,23?,27-,28+,29+,30-,31?/m0/s1 |
| InChIKey | KITPYFQOTMBDQC-GXRZYSILSA-N |
| Literature Reference Author | K.MOHAMAD,T.SEVENET,V.DUMONTET,M.PAIS,M.V.TRI,H.HADI,K.AWANG ,M.T.MARTIN |
| Literature Reference Citation | PHYTOCHEM.,51,1031(1999) |
| Literature Reference DOI | 10.1016/S0031-9422(99)00053-9 |
| Molecular Weight | 522.766 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWVN11001 |