| SpectraBase Compound ID | 5Rxub1RgQZY |
|---|---|
| InChI | InChI=1S/C42H44O20/c43-19-3-7-21(8-4-19)59-41-37(53)35(51)33(49)27(61-41)15-57-39(55)31-29(17-1-11-23(45)25(47)13-17)30(18-2-12-24(46)26(48)14-18)32(31)40(56)58-16-28-34(50)36(52)38(54)42(62-28)60-22-9-5-20(44)6-10-22/h1-14,27-38,41-54H,15-16H2/t27-,28+,29-,30-,31-,32-,33-,34+,35+,36-,37-,38+,41-,42+/m1/s1 |
| InChIKey | JABLVBVHBADMAQ-USWVEMRVSA-N |
| Mol Weight | 868.8 g/mol |
| Molecular Formula | C42H44O20 |
| Exact Mass | 868.242594 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6zlkNxKmskn |
|---|---|
| Name | DUNALIANOSIDE-H |
| Compound Number | 8 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H44O20 |
| InChI | InChI=1S/C42H44O20/c43-19-3-7-21(8-4-19)59-41-37(53)35(51)33(49)27(61-41)15-57-39(55)31-29(17-1-11-23(45)25(47)13-17)30(18-2-12-24(46)26(48)14-18)32(31)40(56)58-16-28-34(50)36(52)38(54)42(62-28)60-22-9-5-20(44)6-10-22/h1-14,27-38,41-54H,15-16H2/t27-,28+,29-,30-,31-,32-,33-,34+,35+,36-,37-,38+,41-,42+/m1/s1 |
| InChIKey | JABLVBVHBADMAQ-USWVEMRVSA-N |
| Literature Reference Author | P.ZHAO,T.TANAKA,K.HIRABAYASHI,Y.J.ZHANG,C.R.YANG,I.KOUNO |
| Literature Reference Citation | PHYTOCHEM.,69,3087(2008) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.06.001 |
| Molecular Weight | 868.799 g/mol |
| Sample ID | 63875 |
| Solvent | CD3OD |