| SpectraBase Compound ID | 9HELL9ZWhal |
|---|---|
| InChI | InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20?,21-,23?,24-,25-,26-,27?,28-,29?/m1/s1 |
| InChIKey | UULRBMDSYFJFGT-JXMROGBWSA-N |
| Mol Weight | 656.6 g/mol |
| Molecular Formula | C29H36O17 |
| Exact Mass | 656.19525 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KTwccZ9aE6o |
|---|---|
| Name | 1-Acetyl-3-O-p-coumaroyl-.beta.,D-fructofuranosyl 3,4,6-tri-O-acetyl-.alpha.,D-glucopyranoside |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C29H36O17 |
| InChI | InChI=1S/C29H36O17/c1-14(31)39-12-21-25(41-16(3)33)26(42-17(4)34)24(38)28(43-21)46-29(13-40-15(2)32)27(23(37)20(11-30)45-29)44-22(36)10-7-18-5-8-19(35)9-6-18/h5-10,20-21,23-28,30,35,37-38H,11-13H2,1-4H3/b10-7+/t20?,21-,23?,24-,25-,26-,27?,28-,29?/m1/s1 |
| InChIKey | UULRBMDSYFJFGT-JXMROGBWSA-N |
| Molecular Weight | 656.590 g/mol |
| SMILES | OC1C(C(O[C@]2(O[C@@]([C@]([C@@]([C@]2(O)[H])(OC(=O)C)[H])(OC(=O)C)[H])(COC(=O)C)[H])[H])(OC1CO)COC(=O)C)OC(\C=C\c1ccc(cc1)O)=O |
| SPLASH | splash10-0002-0900000000-2e32ff7d7928a62f0c43 |
| Source of Spectrum | E1-38-417-3 |
| Wiley ID | 1518227 |