| SpectraBase Compound ID | JhHHNhJf2wa |
|---|---|
| InChI | InChI=1S/C36H40O18/c1-18(38)52-33-31(45)28(17-50-29(43)8-5-19-3-6-24(39)26(41)13-19)53-36(32(33)46)54-35-21(9-11-37)22(23(16-51-35)34(47)48-2)15-30(44)49-12-10-20-4-7-25(40)27(42)14-20/h3-9,13-14,16,22,28,31-33,35-37,39-42,45-46H,10-12,15,17H2,1-2H3/b8-5+,21-9-/t22-,28-,31-,32-,33+,35-,36+/m1/s1 |
| InChIKey | MPAWGZHLBSDDEL-DFLPTOGHSA-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 | 1vkKq3V3sF |
|---|---|
| Name | FRAXICARBOSIDE-C;3''-O-ACETYL-6''-O-TRANS-CAFFEOYL-10-HYDROXYOLEUROPEIN |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H40O18 |
| InChI | InChI=1S/C36H40O18/c1-18(38)52-33-31(45)28(17-50-29(43)8-5-19-3-6-24(39)26(41)13-19)53-36(32(33)46)54-35-21(9-11-37)22(23(16-51-35)34(47)48-2)15-30(44)49-12-10-20-4-7-25(40)27(42)14-20/h3-9,13-14,16,22,28,31-33,35-37,39-42,45-46H,10-12,15,17H2,1-2H3/b8-5+,21-9-/t22-,28-,31-,32-,33+,35-,36+/m1/s1 |
| InChIKey | MPAWGZHLBSDDEL-DFLPTOGHSA-N |
| Literature Reference Author | M.HOSNY |
| Literature Reference Citation | PHYTOCHEM.,47,1569(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00790-5 |
| Molecular Weight | 760.703 g/mol |
| Solvent | CD3OD |
| Source File Reference | UWMS816 |