| SpectraBase Compound ID | 4XPjROiD8XM |
|---|---|
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-27(40)25(38)23(36)20(12-33)47-31)10-21(34)43-9-8-14-4-6-15(7-5-14)45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,13,17,19-20,22-27,29-33,35-40H,8-12H2,1-2H3/b16-3-/t17?,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1 |
| InChIKey | AZIMXRPUOIPIKL-MPGJYKIESA-N |
| Mol Weight | 686.7 g/mol |
| Molecular Formula | C31H42O17 |
| Exact Mass | 686.2422 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6YLozSqYmlP |
|---|---|
| Name | ANGUSTIFOLIOSIDE-B;6''-O-(BETA-D-GLUCOPYRANOSYL)-LIGSTROSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H42O17 |
| InChI | InChI=1S/C31H42O17/c1-3-16-17(18(28(41)42-2)13-44-29(16)48-31-27(40)25(38)23(36)20(12-33)47-31)10-21(34)43-9-8-14-4-6-15(7-5-14)45-30-26(39)24(37)22(35)19(11-32)46-30/h3-7,13,17,19-20,22-27,29-33,35-40H,8-12H2,1-2H3/b16-3-/t17?,19-,20+,22-,23+,24+,25-,26-,27+,29+,30-,31-/m1/s1 |
| InChIKey | AZIMXRPUOIPIKL-MPGJYKIESA-N |
| Literature Reference Author | I.CALIS,M.HOSNY,T.KHALIFA,S.NISHIBE |
| Literature Reference Citation | PHYTOCHEM.,33,1453(1993) |
| Literature Reference DOI | 10.1016/0031-9422(93)85109-5 |
| Molecular Weight | 686.664 g/mol |
| Solvent | CD3OD |