| SpectraBase Compound ID | 2ipD92DtppB |
|---|---|
| InChI | InChI=1S/C31H30O15/c1-40-19-9-14(8-17(33)28(19)41-2)16-11-43-18-10-20(29(42-3)25(36)22(18)23(16)34)45-31-27(38)26(37)24(35)21(46-31)12-44-30(39)13-4-6-15(32)7-5-13/h4-11,21,24,26-27,31-33,35-38H,12H2,1-3H3/t21-,24-,26+,27-,31-/m1/s1 |
| InChIKey | AQARCOFZFRLNNY-LLFHEIDASA-N |
| Mol Weight | 642.57 g/mol |
| Molecular Formula | C31H30O15 |
| Exact Mass | 642.15847 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 92RBTu53IvA |
|---|---|
| Name | 6''-O-PARA-HYDROXYBENZOYLIRIDIN |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H30O15 |
| InChI | InChI=1S/C31H30O15/c1-40-19-9-14(8-17(33)28(19)41-2)16-11-43-18-10-20(29(42-3)25(36)22(18)23(16)34)45-31-27(38)26(37)24(35)21(46-31)12-44-30(39)13-4-6-15(32)7-5-13/h4-11,21,24,26-27,31-33,35-38H,12H2,1-3H3/t21-,24-,26+,27-,31-/m1/s1 |
| InChIKey | AQARCOFZFRLNNY-LLFHEIDASA-N |
| Literature Reference Author | H.ITO,S.ONOUE,T.YOSHIDA |
| Literature Reference Citation | CHEM.PHARM.BULL.,49,1229(2001) |
| Literature Reference DOI | 10.1248/cpb.49.1229 |
| Molecular Weight | 642.570 g/mol |
| Solvent | ACETONE-D6 |
| Source File Reference | UWVN29117 |