| SpectraBase Compound ID | 3yuUnN7qSNo |
|---|---|
| InChI | InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | XDAXWJHQKZRSEY-VLJJWSBQSA-N |
| Mol Weight | 640.6 g/mol |
| Molecular Formula | C29H36O16 |
| Exact Mass | 640.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2bOKRT549i |
|---|---|
| Name | BETA-HYDROXYACTEOSIDE |
| Compound Number | 4 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O16 |
| InChI | InChI=1S/C29H36O16/c1-12-22(37)23(38)24(39)29(42-12)45-27-25(40)28(41-11-19(35)14-4-6-16(32)18(34)9-14)43-20(10-30)26(27)44-21(36)7-3-13-2-5-15(31)17(33)8-13/h2-9,12,19-20,22-35,37-40H,10-11H2,1H3/b7-3+/t12-,19?,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | XDAXWJHQKZRSEY-VLJJWSBQSA-N |
| Literature Reference Author | T.ERSOEZ,U.S.HARPUT,I.CALIS,A.A.DOENMEZ |
| Literature Reference Citation | TURK.J.CHEM.,26,1(2002) |
| Molecular Weight | 640.595 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU5735 |