| SpectraBase Compound ID | p8urQHnhBV |
|---|---|
| InChI | InChI=1S/C38H54O16/c1-17(41)50-23-13-38(48)22-6-5-19-12-20(8-10-36(19,2)21(22)9-11-37(38,3)27(23)18-4-7-26(42)49-16-18)51-34-32(47)30(45)33(25(15-40)53-34)54-35-31(46)29(44)28(43)24(14-39)52-35/h4,7,12,16,20-25,27-35,39-40,43-48H,5-6,8-11,13-15H2,1-3H3/t20-,21-,22+,23-,24-,25+,27?,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | YFOXFDFYFJRWMG-AQYNKKRWSA-N |
| Mol Weight | 766.8 g/mol |
| Molecular Formula | C38H54O16 |
| Exact Mass | 766.341186 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91OeifxA3dM |
|---|---|
| Name | 16-BETA-O-ACETYL-SCILLARENIN-3-O-BETA-D-GLUCOSIDO-1''->4'-BETA-D-GLUCOSIDE |
| Compound Number | 22 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H54O16 |
| InChI | InChI=1S/C38H54O16/c1-17(41)50-23-13-38(48)22-6-5-19-12-20(8-10-36(19,2)21(22)9-11-37(38,3)27(23)18-4-7-26(42)49-16-18)51-34-32(47)30(45)33(25(15-40)53-34)54-35-31(46)29(44)28(43)24(14-39)52-35/h4,7,12,16,20-25,27-35,39-40,43-48H,5-6,8-11,13-15H2,1-3H3/t20-,21-,22+,23-,24-,25+,27?,28-,29+,30+,31-,32+,33+,34+,35+,36-,37+,38-/m0/s1 |
| InChIKey | YFOXFDFYFJRWMG-AQYNKKRWSA-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 | 766.837 g/mol |
| Solvent | CDCl3:CD3OD=1:1 |
| Source File Reference | UWLU3390 |