| SpectraBase Compound ID | EqSqCeB1xnd |
|---|---|
| InChI | InChI=1S/C29H46O21/c1-9-16-10(3-15(33)45-9)11(25(41)42-2)6-44-26(16)48-27-21(38)20(37)18(35)14(47-27)7-43-23-13(5-31)49-29(8-32,24(23)40)50-28-22(39)19(36)17(34)12(4-30)46-28/h6,9-10,12-24,26-28,30-40H,3-5,7-8H2,1-2H3/t9-,10+,12+,13+,14-,15+,16+,17+,18-,19-,20+,21-,22+,23+,24-,26-,27+,28+,29-/m0/s1 |
| InChIKey | MYODEPWFHUYVAK-WIEFGOBASA-N |
| Mol Weight | 730.7 g/mol |
| Molecular Formula | C29H46O21 |
| Exact Mass | 730.253158 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwDMagkW2Gg |
|---|---|
| Name | WILLIAMSOSIDE-C;ALPHA-D-GLUCOPYRANOSYL-(1->2)-BETA-D-FRUCTOFURANOSYL-(4->6)-BETA-MORRONISIDE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H46O21 |
| InChI | InChI=1S/C29H46O21/c1-9-16-10(3-15(33)45-9)11(25(41)42-2)6-44-26(16)48-27-21(38)20(37)18(35)14(47-27)7-43-23-13(5-31)49-29(8-32,24(23)40)50-28-22(39)19(36)17(34)12(4-30)46-28/h6,9-10,12-24,26-28,30-40H,3-5,7-8H2,1-2H3/t9-,10+,12+,13+,14-,15+,16+,17+,18-,19-,20+,21-,22+,23+,24-,26-,27+,28+,29-/m0/s1 |
| InChIKey | MYODEPWFHUYVAK-WIEFGOBASA-N |
| Literature Reference Author | H.X.KUANG,H.HAN,B.Y.YANG,L.YANG,H.JIANG,Q.H.WANG |
| Literature Reference Citation | MOLECULES,17,1830(2012) |
| Literature Reference DOI | 10.3390/molecules17021830 |
| Molecular Weight | 730.672 g/mol |
| Sample ID | 73132 |
| Solvent | CD3OD |