| SpectraBase Compound ID | BL89PNQPm1C |
|---|---|
| InChI | InChI=1S/C38H40O21/c1-51-16-4-2-14(3-5-16)23-10-19(40)27-18(39)8-17(9-24(27)56-23)55-35(50)15-6-20(41)28(44)25(7-15)57-38-34(30(46)22(43)12-53-38)59-37-33(49)31(47)26(58-37)13-54-36-32(48)29(45)21(42)11-52-36/h2-10,21-22,26,29-34,36-39,41-49H,11-13H2,1H3/t21-,22-,26-,29+,30+,31-,32-,33+,34-,36+,37+,38+/m0/s1 |
| InChIKey | WCKVYBLSMSYKDH-AEGQNVCZSA-N |
| Mol Weight | 832.7 g/mol |
| Molecular Formula | C38H40O21 |
| Exact Mass | 832.206208 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 86bEcetxAmu |
|---|---|
| Name | 4-METHOXYAPIGENIN-7-O-(3-GALLOYL)-ALPHA-D-ARABINOPYRANOSYL-(2->1)-APIOFURANOSYL-(3->1)-ALPHA-D-ARABINOPYRANOSIDE |
| Compound Number | 4A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H40O21 |
| InChI | InChI=1S/C38H40O21/c1-51-16-4-2-14(3-5-16)23-10-19(40)27-18(39)8-17(9-24(27)56-23)55-35(50)15-6-20(41)28(44)25(7-15)57-38-34(30(46)22(43)12-53-38)59-37-33(49)31(47)26(58-37)13-54-36-32(48)29(45)21(42)11-52-36/h2-10,21-22,26,29-34,36-39,41-49H,11-13H2,1H3/t21-,22-,26-,29+,30+,31-,32-,33+,34-,36+,37+,38+/m0/s1 |
| InChIKey | WCKVYBLSMSYKDH-AEGQNVCZSA-N |
| Literature Reference Author | F.V.ZANUTTO,P.K.BOLDRIN,E.A.VARANDA,S.F.D.SOUZA,P.T.SANO,W.V ILEGAS,L.C.D.SANTOS |
| Literature Reference Citation | MOLECULES,18,244(2013) |
| Literature Reference DOI | 10.3390/molecules18010244 |
| Molecular Weight | 832.723 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWBT8774 |