![6''-[(4-HYDROXY)-BENZOYL]-AMYGDALIN](/api/spectrum/ElEjscWEv9f/structure.png?h=300&w=458 "6''-[(4-HYDROXY)-BENZOYL]-AMYGDALIN")
| SpectraBase Compound ID | CDfYSqVid3D |
|---|---|
| InChI | InChI=1S/C27H31NO13/c28-10-16(13-4-2-1-3-5-13)39-27-24(35)22(33)20(31)18(41-27)12-38-26-23(34)21(32)19(30)17(40-26)11-37-25(36)14-6-8-15(29)9-7-14/h1-9,16-24,26-27,29-35H,11-12H2/t16-,17+,18-,19+,20-,21-,22+,23+,24-,26+,27-/m0/s1 |
| InChIKey | JYGGKEMJZSKEKL-JEIRJFIRSA-N |
| Mol Weight | 577.54 g/mol |
| Molecular Formula | C27H31NO13 |
| Exact Mass | 577.17954 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ElEjscWEv9f |
|---|---|
| Name | 6''-[(4-HYDROXY)-BENZOYL]-AMYGDALIN |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H31NO13 |
| InChI | InChI=1S/C27H31NO13/c28-10-16(13-4-2-1-3-5-13)39-27-24(35)22(33)20(31)18(41-27)12-38-26-23(34)21(32)19(30)17(40-26)11-37-25(36)14-6-8-15(29)9-7-14/h1-9,16-24,26-27,29-35H,11-12H2/t16-,17+,18-,19+,20-,21-,22+,23+,24-,26+,27-/m0/s1 |
| InChIKey | JYGGKEMJZSKEKL-JEIRJFIRSA-N |
| Literature Reference Author | A.NAHRSTEDT,E.A.SATTAR,S.M.H.EL-ZALABANI |
| Literature Reference Citation | PHYTOCHEM.,29,1179(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85424-E |
| Molecular Weight | 577.542 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN29545 |