| SpectraBase Compound ID | AvHySDakrfI |
|---|---|
| InChI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | FBSKJMQYURKNSU-JAZXIUHJSA-N |
| Mol Weight | 624.6 g/mol |
| Molecular Formula | C29H36O15 |
| Exact Mass | 624.20542 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FxBICZMeAS5 |
|---|---|
| Name | ACETOSIDE |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C29H36O15 |
| InChI | InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20-,22-,23+,24+,25-,26-,27-,28-,29-/m0/s1 |
| InChIKey | FBSKJMQYURKNSU-JAZXIUHJSA-N |
| Literature Reference Author | J.WU,S.ZHANG,Q.XIAO,Q.LI,J.HUANG,L.LONG,L.HUANG |
| Literature Reference Citation | PHYTOCHEM.,63,491(2003) |
| Literature Reference DOI | 10.1016/s0031-9422(03)00100-6 |
| Molecular Weight | 624.596 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN27034 |