![MEDUSASIDE-A;4-O-(BETA-D-GLUCOPYRANOSYL)-2-HYDROXYMETHYL-3-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1-(4-HYDROXY-3-METHOXYPHENYL)-BUTAN-1-ONE](/api/spectrum/8T2w5YWpSqH/structure.png?h=300&w=458 "MEDUSASIDE-A;4-O-(BETA-D-GLUCOPYRANOSYL)-2-HYDROXYMETHYL-3-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1-(4-HYDROXY-3-METHOXYPHENYL)-BUTAN-1-ONE")
| SpectraBase Compound ID | Hs42g0w2Hxw |
|---|---|
| InChI | InChI=1S/C26H34O12/c1-35-19-8-13(3-5-17(19)29)7-15(12-37-26-25(34)24(33)23(32)21(11-28)38-26)16(10-27)22(31)14-4-6-18(30)20(9-14)36-2/h3-6,8-9,15-16,21,23-30,32-34H,7,10-12H2,1-2H3/t15?,16?,21-,23-,24+,25-,26-/m0/s1 |
| InChIKey | MECTYIHXYHDGPY-WPIVMAMASA-N |
| Mol Weight | 538.5 g/mol |
| Molecular Formula | C26H34O12 |
| Exact Mass | 538.205027 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8T2w5YWpSqH |
|---|---|
| Name | MEDUSASIDE-A;4-O-(BETA-D-GLUCOPYRANOSYL)-2-HYDROXYMETHYL-3-[(4-HYDROXY-3-METHOXYPHENYL)-METHYL]-1-(4-HYDROXY-3-METHOXYPHENYL)-BUTAN-1-ONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H34O12 |
| InChI | InChI=1S/C26H34O12/c1-35-19-8-13(3-5-17(19)29)7-15(12-37-26-25(34)24(33)23(32)21(11-28)38-26)16(10-27)22(31)14-4-6-18(30)20(9-14)36-2/h3-6,8-9,15-16,21,23-30,32-34H,7,10-12H2,1-2H3/t15?,16?,21-,23-,24+,25-,26-/m0/s1 |
| InChIKey | MECTYIHXYHDGPY-WPIVMAMASA-N |
| Literature Reference Author | C.Q.FAN,J.M.YUE |
| Literature Reference Citation | BIOORG.MED.CHEM.,11,703(2003) |
| Literature Reference DOI | 10.1016/S0968-0896(02)00470-4 |
| Molecular Weight | 538.549 g/mol |
| Sample ID | 38590 |
| Solvent | CD3OD |