![2'-O-TRANS-[4-(1,3-DIHYDROXYPROPOXY)-3-METHOXYCINNAMOYL]-ALANGISIDE](/api/spectrum/8dMMHpcZStk/structure.png?h=300&w=458 "2'-O-TRANS-[4-(1,3-DIHYDROXYPROPOXY)-3-METHOXYCINNAMOYL]-ALANGISIDE")
| SpectraBase Compound ID | Ij6I0PGMGQc |
|---|---|
| InChI | InChI=1S/C38H45NO15/c1-4-22-24-13-26-23-14-27(43)29(48-2)12-20(23)9-10-39(26)36(47)25(24)18-50-37(22)54-38-35(34(46)33(45)31(17-42)52-38)53-32(44)8-6-19-5-7-28(30(11-19)49-3)51-21(15-40)16-41/h4-8,11-12,14,18,21-22,24,26,31,33-35,37-38,40-43,45-46H,1,9-10,13,15-17H2,2-3H3/b8-6+/t22-,24+,26-,31+,33+,34-,35+,37+,38-/m1/s1 |
| InChIKey | QDQHKRJSVSSUNJ-NVZSXZMWSA-N |
| Mol Weight | 755.8 g/mol |
| Molecular Formula | C38H45NO15 |
| Exact Mass | 755.27892 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8dMMHpcZStk |
|---|---|
| Name | 2'-O-TRANS-[4-(1,3-DIHYDROXYPROPOXY)-3-METHOXYCINNAMOYL]-ALANGISIDE |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C38H45NO15 |
| InChI | InChI=1S/C38H45NO15/c1-4-22-24-13-26-23-14-27(43)29(48-2)12-20(23)9-10-39(26)36(47)25(24)18-50-37(22)54-38-35(34(46)33(45)31(17-42)52-38)53-32(44)8-6-19-5-7-28(30(11-19)49-3)51-21(15-40)16-41/h4-8,11-12,14,18,21-22,24,26,31,33-35,37-38,40-43,45-46H,1,9-10,13,15-17H2,2-3H3/b8-6+/t22-,24+,26-,31+,33+,34-,35+,37+,38-/m1/s1 |
| InChIKey | QDQHKRJSVSSUNJ-NVZSXZMWSA-N |
| Literature Reference Author | A.ITOH,T.TANAHASHI,N.NAGAKURA |
| Literature Reference Citation | PHYTOCHEM.,41,651(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00668-0 |
| Molecular Weight | 755.773 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWLU4011 |