| SpectraBase Compound ID | 7baIF5rdvTj |
|---|---|
| InChI | InChI=1S/C44H70O16/c1-22-37(47)29(51-8)18-35(54-22)59-39-24(3)56-36(20-31(39)53-10)60-38-23(2)55-34(19-30(38)52-9)58-28-12-13-40(6)27(17-28)11-14-43(49)32(40)21-33(57-26(5)46)41(7)42(48,25(4)45)15-16-44(41,43)50/h11,22-24,28-39,47-50H,12-21H2,1-10H3/t22-,23-,24+,28+,29-,30+,31-,32?,33-,34+,35+,36-,37-,38-,39+,40+,41-,42-,43+,44-/m1/s1 |
| InChIKey | KYHVIMFXQJIBSR-PBAYEFCASA-N |
| Mol Weight | 855.0 g/mol |
| Molecular Formula | C44H70O16 |
| Exact Mass | 854.466386 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aa88egIUUaj |
|---|---|
| Name | METAPLEXIGENIN-3-O-BETA-D-OLEANDROPYRANOSYL-(1->4)-BETA-CYMROPYRANOSYL-(1->4)-BETA-CYMAROPYRANOSIDE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H70O16 |
| InChI | InChI=1S/C44H70O16/c1-22-37(47)29(51-8)18-35(54-22)59-39-24(3)56-36(20-31(39)53-10)60-38-23(2)55-34(19-30(38)52-9)58-28-12-13-40(6)27(17-28)11-14-43(49)32(40)21-33(57-26(5)46)41(7)42(48,25(4)45)15-16-44(41,43)50/h11,22-24,28-39,47-50H,12-21H2,1-10H3/t22-,23-,24+,28+,29-,30+,31-,32?,33-,34+,35+,36-,37-,38-,39+,40+,41-,42-,43+,44-/m1/s1 |
| InChIKey | KYHVIMFXQJIBSR-PBAYEFCASA-N |
| Literature Reference Author | T.WARASHINA,T.NORO |
| Literature Reference Citation | PHYTOCHEM.,49,2103(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(98)00405-1 |
| Molecular Weight | 855.030 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWLU876 |