| SpectraBase Compound ID | LP6ZQYNkfwP |
|---|---|
| InChI | InChI=1S/C39H58O17/c1-17-32(56-34-30(46)29(45)28(44)24(15-40)55-34)33(50-5)31(47)35(52-17)54-20-8-10-36(3)22(12-20)23(53-18(2)41)14-38(48)25(36)13-26(42)37(4)21(9-11-39(37,38)49)19-6-7-27(43)51-16-19/h6-7,16-17,20-26,28-35,40,42,44-49H,8-15H2,1-5H3/t17?,20-,21?,22+,23+,24-,25?,26+,28-,29+,30-,31?,32?,33?,34+,35?,36-,37-,38-,39+/m0/s1 |
| InChIKey | YYYAOINGISELNO-AVZQWGEDSA-N |
| Mol Weight | 798.9 g/mol |
| Molecular Formula | C39H58O17 |
| Exact Mass | 798.3674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9zcGApVoiqC |
|---|---|
| Name | 5-ALPHA-4,5-DIHYDRO-12-BETA-HYDROXY-SCILLIROSIDIN-3-O-ALPHA-L-THEVETOSIDO-1''->4'-BETA-D-GLUCOSIDE |
| Compound Number | 37 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C39H58O17 |
| InChI | InChI=1S/C39H58O17/c1-17-32(56-34-30(46)29(45)28(44)24(15-40)55-34)33(50-5)31(47)35(52-17)54-20-8-10-36(3)22(12-20)23(53-18(2)41)14-38(48)25(36)13-26(42)37(4)21(9-11-39(37,38)49)19-6-7-27(43)51-16-19/h6-7,16-17,20-26,28-35,40,42,44-49H,8-15H2,1-5H3/t17?,20-,21?,22+,23+,24-,25?,26+,28-,29+,30-,31?,32?,33?,34+,35?,36-,37-,38-,39+/m0/s1 |
| InChIKey | YYYAOINGISELNO-AVZQWGEDSA-N |
| Literature Reference Author | B.KOPP,L.KRENN,M.DRAXLER,A.HOYER,R.TERKOLA,P.VALLASTER,W.ROB IEN |
| Literature Reference Citation | PHYTOCHEM.,42,513(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00876-4 |
| Molecular Weight | 798.879 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3401 |