![4-[[(4-METHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE](/api/spectrum/3UO97B99x5t/structure.png?h=300&w=458 "4-[[(4-METHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE")
| SpectraBase Compound ID | Ez2090cuztA |
|---|---|
| InChI | InChI=1S/C34H38O16/c1-43-22-10-6-20(7-11-22)30(40)45-14-18-3-12-23(24(13-18)44-2)49-32-28(38)27(37)26(36)25(50-32)15-46-33-29(39)34(42,17-48-33)16-47-31(41)19-4-8-21(35)9-5-19/h3-13,25-29,32-33,35-39,42H,14-17H2,1-2H3/t25-,26-,27+,28-,29+,32-,33-,34-/m0/s1 |
| InChIKey | UJQUNBJUASKNRG-BDAPQYDASA-N |
| Mol Weight | 702.7 g/mol |
| Molecular Formula | C34H38O16 |
| Exact Mass | 702.215985 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3UO97B99x5t |
|---|---|
| Name | 4-[[(4-METHOXYBENZOYL)-OXY]-METHYL]-2-METHOXYPHENYL-1-O-BETA-D-[5-O-(4-HYDROXYBENZOYL)]-APIOFURANOSYL-(1->6)-BETA-D-GLUCOPYRANOSIDE |
| Compound Number | 15 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H38O16 |
| InChI | InChI=1S/C34H38O16/c1-43-22-10-6-20(7-11-22)30(40)45-14-18-3-12-23(24(13-18)44-2)49-32-28(38)27(37)26(36)25(50-32)15-46-33-29(39)34(42,17-48-33)16-47-31(41)19-4-8-21(35)9-5-19/h3-13,25-29,32-33,35-39,42H,14-17H2,1-2H3/t25-,26-,27+,28-,29+,32-,33-,34-/m0/s1 |
| InChIKey | UJQUNBJUASKNRG-BDAPQYDASA-N |
| Literature Reference Author | T.WARASHINA,Y.NAGATANI,T.NORO |
| Literature Reference Citation | CHEM.PHARM.BULL.,54,14(2006) |
| Literature Reference DOI | 10.1248/cpb.54.14 |
| Molecular Weight | 702.666 g/mol |
| Sample ID | 54783 |
| Solvent | CD3OD |