| SpectraBase Compound ID | 2TzbrqHoAN5 |
|---|---|
| InChI | InChI=1S/C36H52O14/c1-34-10-7-19(47-32-30(44)28(42)31(24(15-38)49-32)50-33-29(43)27(41)26(40)23(14-37)48-33)13-18(34)4-5-22-21(34)8-11-35(2)20(9-12-36(22,35)45)17-3-6-25(39)46-16-17/h3,6,13,16,19-24,26-33,37-38,40-45H,4-5,7-12,14-15H2,1-2H3/t19-,20?,21-,22+,23-,24+,26-,27+,28+,29-,30+,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | TVFOQNHFIGUJRM-GDOUTPMESA-N |
| Mol Weight | 708.8 g/mol |
| Molecular Formula | C36H52O14 |
| Exact Mass | 708.335706 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DTY5tcHJz11 |
|---|---|
| Name | SCILLARENIN-3-O-BETA-D-GLUCOSIDO-1''->4'-BETA-D-GLUCOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O14 |
| InChI | InChI=1S/C36H52O14/c1-34-10-7-19(47-32-30(44)28(42)31(24(15-38)49-32)50-33-29(43)27(41)26(40)23(14-37)48-33)13-18(34)4-5-22-21(34)8-11-35(2)20(9-12-36(22,35)45)17-3-6-25(39)46-16-17/h3,6,13,16,19-24,26-33,37-38,40-45H,4-5,7-12,14-15H2,1-2H3/t19-,20?,21-,22+,23-,24+,26-,27+,28+,29-,30+,31+,32+,33+,34-,35+,36-/m0/s1 |
| InChIKey | TVFOQNHFIGUJRM-GDOUTPMESA-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 | 708.800 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3380 |