| SpectraBase Compound ID | BFrhmfrIjGK |
|---|---|
| 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-OYIJDACNSA-N |
| Mol Weight | 840.8 g/mol |
| Molecular Formula | C42H48O18 |
| Exact Mass | 840.284065 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5y65TlxY7pY |
|---|---|
| Name | SCROPHULOSIDE-B(4);6-O-(2''-O-ACETYL-3''-O-CINNAMOYL-4''-O-PARA-METHOXYCINNAMOYL-ALPHA-L-RHAMNOPYRANOSYL)-CATALPOL |
| Compound Number | 94 |
| 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-OYIJDACNSA-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 | 840.832 g/mol |
| Sample ID | 37891 |
| Solvent | CD3OD:CDCl3 |