| SpectraBase Compound ID | BkZLkk6mHEd |
|---|---|
| InChI | InChI=1S/C42H48O18/c1-21-34(56-28(46)16-12-24-9-13-25(51-3)14-10-24)36(57-29(47)15-11-23-7-5-4-6-8-23)37(54-22(2)45)41(53-21)58-35-26-17-18-52-39(30(26)42(20-44)38(35)60-42)59-40-33(50)32(49)31(48)27(19-43)55-40/h4-18,21,26-27,30-41,43-44,48-50H,19-20H2,1-3H3/b15-11+,16-12+/t21-,26+,27+,30+,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+/m0/s1 |
| InChIKey | FLAHDRJIGYMBNF-RHHCUTRASA-N |
| Mol Weight | 840.8 g/mol |
| Molecular Formula | C42H48O18 |
| Exact Mass | 840.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LhnCGFmPiS |
|---|---|
| Name | SCROPHULOSIDE_B_4;6-O-(2''-O-ACETYL-3''-O-CINNAMOYL-4''-O-PARA-METHOXYCINNAMOYL-ALPHA-L-RHAMNOPYRANOSYL)-CATAPOL |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C42H48O18 |
| InChI | InChI=1S/C42H48O18/c1-21-34(56-28(46)16-12-24-9-13-25(51-3)14-10-24)36(57-29(47)15-11-23-7-5-4-6-8-23)37(54-22(2)45)41(53-21)58-35-26-17-18-52-39(30(26)42(20-44)38(35)60-42)59-40-33(50)32(49)31(48)27(19-43)55-40/h4-18,21,26-27,30-41,43-44,48-50H,19-20H2,1-3H3/b15-11+,16-12+/t21-,26+,27+,30+,31+,32-,33+,34-,35-,36+,37+,38-,39-,40-,41-,42+/m0/s1 |
| InChIKey | FLAHDRJIGYMBNF-RHHCUTRASA-N |
| Literature Reference Author | A.T.NGUYEN,J.FONTAINE,H.MALONNE,M.CLAEYS,M.LUHMER,P.DUEZ |
| Literature Reference Citation | PHYTOCHEM.,66,1186(2005) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.03.023 |
| Molecular Weight | 840.832 g/mol |
| Solvent | CDCl3:CD3OD |
| Source File Reference | UWMZ25863 |