| SpectraBase Compound ID | JC6RJwmnMb9 |
|---|---|
| InChI | InChI=1S/C36H40O18/c1-17(37)45-15-26-30(48-20(4)40)31(49-21(5)41)32(50-22(6)42)35(51-26)53-34-28-25(13-14-44-34)29(33-36(28,54-33)16-46-18(2)38)52-27(43)12-9-23-7-10-24(11-8-23)47-19(3)39/h7-14,25-26,28-35H,15-16H2,1-6H3/b12-9-/t25-,26+,28-,29+,30+,31-,32+,33+,34+,35-,36-/m1/s1 |
| InChIKey | QLYJOKGAZNNVFA-UBWMGEOWSA-N |
| Mol Weight | 760.7 g/mol |
| Molecular Formula | C36H40O18 |
| Exact Mass | 760.221464 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZgpELDsefA |
|---|---|
| Name | 6-O-CIS-PARA-COUMAROYL-CATALPOL-HEXAACETATE |
| Compound Number | 85 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O18 |
| InChI | InChI=1S/C36H40O18/c1-17(37)45-15-26-30(48-20(4)40)31(49-21(5)41)32(50-22(6)42)35(51-26)53-34-28-25(13-14-44-34)29(33-36(28,54-33)16-46-18(2)38)52-27(43)12-9-23-7-10-24(11-8-23)47-19(3)39/h7-14,25-26,28-35H,15-16H2,1-6H3/b12-9-/t25-,26+,28-,29+,30+,31-,32+,33+,34+,35-,36-/m1/s1 |
| InChIKey | QLYJOKGAZNNVFA-UBWMGEOWSA-N |
| Literature Reference Author | B.DINDA,S.DEBNATH,Y.HARIGAYA |
| Literature Reference Citation | CHEM.PHARM.BULL.,55,159(2007) |
| Literature Reference DOI | 10.1248/cpb.55.159 |
| Molecular Weight | 760.703 g/mol |
| Sample ID | 37882 |
| Solvent | CDCl3 |