| SpectraBase Compound ID | EIbld2quFRH |
|---|---|
| InChI | InChI=1S/C26H22O18/c27-5-12-19-18(35)21(26(40-12)44-22(36)6-1-9(28)16(33)10(29)2-6)43-23(37)7-3-11(30)17(34)20-14(7)15(25(39)42-20)8(4-13(31)32)24(38)41-19/h1-3,8,12,15,18-19,21,26-30,33-35H,4-5H2,(H,31,32)/t8?,12-,15?,18+,19-,21-,26+/m0/s1 |
| InChIKey | FUFSTUTVLLDTGB-OCGLYZHHSA-N |
| Mol Weight | 622.44 g/mol |
| Molecular Formula | C26H22O18 |
| Exact Mass | 622.080614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSR3ULgVXhY |
|---|---|
| Name | PELARGONIIN-B |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H22O18 |
| InChI | InChI=1S/C26H22O18/c27-5-12-19-18(35)21(26(40-12)44-22(36)6-1-9(28)16(33)10(29)2-6)43-23(37)7-3-11(30)17(34)20-14(7)15(25(39)42-20)8(4-13(31)32)24(38)41-19/h1-3,8,12,15,18-19,21,26-30,33-35H,4-5H2,(H,31,32)/t8?,12-,15?,18+,19-,21-,26+/m0/s1 |
| InChIKey | FUFSTUTVLLDTGB-OCGLYZHHSA-N |
| Literature Reference Author | K.P.LATTE,H.KOLODZIEJ |
| Literature Reference Citation | PHYTOCHEM.,54,701(2000) |
| Literature Reference DOI | 10.1016/S0031-9422(00)00176-X |
| Molecular Weight | 622.450 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU1414 |