| SpectraBase Compound ID | 2QekDRVpaIu |
|---|---|
| InChI | InChI=1S/C36H52O15/c1-33-9-6-19(48-31-29(44)27(42)30(22(15-38)50-31)51-32-28(43)26(41)25(40)21(14-37)49-32)13-18(33)5-11-35(45)23(33)8-10-34(2)20(7-12-36(34,35)46)17-3-4-24(39)47-16-17/h3-4,13,16,19-23,25-32,37-38,40-46H,5-12,14-15H2,1-2H3/t19-,20?,21-,22+,23+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | BEFYCYGUWHKUQC-JLYQAJEGSA-N |
| Mol Weight | 724.8 g/mol |
| Molecular Formula | C36H52O15 |
| Exact Mass | 724.330621 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 78u56NXD5Kp |
|---|---|
| Name | SCILLIRUBROSIDIN-3-O-BETA-D-GLUCOSIDO-1''->4'-BETA-D-GLUCOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H52O15 |
| InChI | InChI=1S/C36H52O15/c1-33-9-6-19(48-31-29(44)27(42)30(22(15-38)50-31)51-32-28(43)26(41)25(40)21(14-37)49-32)13-18(33)5-11-35(45)23(33)8-10-34(2)20(7-12-36(34,35)46)17-3-4-24(39)47-16-17/h3-4,13,16,19-23,25-32,37-38,40-46H,5-12,14-15H2,1-2H3/t19-,20?,21-,22+,23+,25-,26+,27+,28-,29+,30+,31+,32+,33-,34+,35-,36+/m0/s1 |
| InChIKey | BEFYCYGUWHKUQC-JLYQAJEGSA-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 | 724.800 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3381 |