| SpectraBase Compound ID | 11stR0ROkH0 |
|---|---|
| InChI | InChI=1S/C37H46O20/c1-10-11-25-12-13-26(54-36-34(52-23(8)44)32(50-21(6)42)30(48-19(4)40)28(56-36)15-46-17(2)38)27(14-25)55-37-35(53-24(9)45)33(51-22(7)43)31(49-20(5)41)29(57-37)16-47-18(3)39/h10,12-14,28-37H,1,11,15-16H2,2-9H3/t28-,29-,30+,31+,32+,33+,34-,35-,36-,37-/m1/s1 |
| InChIKey | KRYVWIYLGNWEIP-NKLSFTSFSA-N |
| Mol Weight | 810.8 g/mol |
| Molecular Formula | C37H46O20 |
| Exact Mass | 810.258244 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1453eAg3Gnk |
|---|---|
| Name | .beta.-D-Glucopyranoside, 4-(2-propen-1-yl)-1,2-phenylene bis-, 8ac derivative |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 810.258243861 u |
| Formula | C37H46O20 |
| InChI | InChI=1S/C37H46O20/c1-10-11-25-12-13-26(54-36-34(52-23(8)44)32(50-21(6)42)30(48-19(4)40)28(56-36)15-46-17(2)38)27(14-25)55-37-35(53-24(9)45)33(51-22(7)43)31(49-20(5)41)29(57-37)16-47-18(3)39/h10,12-14,28-37H,1,11,15-16H2,2-9H3/t28-,29-,30+,31+,32+,33+,34-,35-,36-,37-/m1/s1 |
| InChIKey | KRYVWIYLGNWEIP-NKLSFTSFSA-N |
| Molecular Weight | 810.755 g/mol |
| SMILES | C1(=C(C=C(C=C1)CC=C)O[C@]1([C@@]([C@]([C@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H])O[C@]1([C@@]([C@]([C@]([C@](O1)(COC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])(OC(=O)C)[H])[H] |