| SpectraBase Compound ID | 5BbPS90foL8 |
|---|---|
| InChI | InChI=1S/C32H40O17/c1-3-16-17(18(29(42)43-2)13-45-30(16)49-32-28(41)25(38)23(36)19(12-33)46-32)11-22(35)44-14-20-24(37)26(39)27(40)31(47-20)48-21(34)10-9-15-7-5-4-6-8-15/h3-10,13,17,19-20,23-28,30-33,36-41H,11-12,14H2,1-2H3/b10-9+,16-3-/t17-,19-,20-,23-,24-,25+,26+,27-,28-,30-,31+,32+/m0/s1 |
| InChIKey | QJACRUXIMMCUBU-ZKBALMGVSA-N |
| Mol Weight | 696.7 g/mol |
| Molecular Formula | C32H40O17 |
| Exact Mass | 696.22655 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6bUVxr7nzdz |
|---|---|
| Name | SAFGHANOSIDE-A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H40O17 |
| InChI | InChI=1S/C32H40O17/c1-3-16-17(18(29(42)43-2)13-45-30(16)49-32-28(41)25(38)23(36)19(12-33)46-32)11-22(35)44-14-20-24(37)26(39)27(40)31(47-20)48-21(34)10-9-15-7-5-4-6-8-15/h3-10,13,17,19-20,23-28,30-33,36-41H,11-12,14H2,1-2H3/b10-9+,16-3-/t17-,19-,20-,23-,24-,25+,26+,27-,28-,30-,31+,32+/m0/s1 |
| InChIKey | QJACRUXIMMCUBU-ZKBALMGVSA-N |
| Literature Reference Author | Y.TAKENAKA,N.OKAZAKI,T.TANAHASHI,N.NAGAKURA,T.NISHI |
| Literature Reference Citation | PHYTOCHEM.,59,779(2002) |
| Literature Reference DOI | 10.1016/S0031-9422(02)00024-9 |
| Molecular Weight | 696.659 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWVN2818 |