| SpectraBase Compound ID | JV0MZ3aWB4C |
|---|---|
| InChI | InChI=1S/C44H64O20/c1-18-37(63-41-36(55)33(52)38(27(16-46)62-41)64-40-34(53)31(50)30(49)26(15-45)61-40)32(51)35(54)39(58-18)60-22-9-11-42(3)21(13-22)6-7-24-23(42)10-12-43(4)29(20-5-8-28(48)57-17-20)25(59-19(2)47)14-44(24,43)56/h5,8,13,17-18,22-27,29-41,45-46,49-56H,6-7,9-12,14-16H2,1-4H3/t18-,22-,23-,24+,25-,26+,27-,29?,30+,31-,32-,33-,34+,35+,36-,37-,38-,39-,40?,41+,42-,43+,44-/m0/s1 |
| InChIKey | ZGBIJLWCOVYACP-PORPDOSNSA-N |
| Mol Weight | 913.0 g/mol |
| Molecular Formula | C44H64O20 |
| Exact Mass | 912.399094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9WKXtmUrPfA |
|---|---|
| Name | 16-BETA-O-ACETYL-GLUCOSCILLAREN-A;16-BETA-O-ACETYL-SCILLARENIN-3-O-ALPHA-L-RHAMNOSIDO-1''->4'-BETA-D-GLUCOSIDO-1'''->4''-BETA-D-GLUCOSIDE |
| Compound Number | 23 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H64O20 |
| InChI | InChI=1S/C44H64O20/c1-18-37(63-41-36(55)33(52)38(27(16-46)62-41)64-40-34(53)31(50)30(49)26(15-45)61-40)32(51)35(54)39(58-18)60-22-9-11-42(3)21(13-22)6-7-24-23(42)10-12-43(4)29(20-5-8-28(48)57-17-20)25(59-19(2)47)14-44(24,43)56/h5,8,13,17-18,22-27,29-41,45-46,49-56H,6-7,9-12,14-16H2,1-4H3/t18-,22-,23-,24+,25-,26+,27-,29?,30+,31-,32-,33-,34+,35+,36-,37-,38-,39-,40?,41+,42-,43+,44-/m0/s1 |
| InChIKey | ZGBIJLWCOVYACP-PORPDOSNSA-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 | 912.980 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3391 |