| SpectraBase Compound ID | JmRJQRMgrgF |
|---|---|
| InChI | InChI=1S/C54H58O25/c1-28-47(72-33(6)59)49(73-34(7)60)51(74-35(8)61)54(67-28)79-78-50-48(77-46(64)22-18-38-15-19-40(68-29(2)55)42(25-38)70-31(4)57)44(27-66-45(63)21-17-37-13-11-10-12-14-37)76-53(52(50)75-36(9)62)65-24-23-39-16-20-41(69-30(3)56)43(26-39)71-32(5)58/h10-22,25-26,28,44,47-54H,23-24,27H2,1-9H3/b21-17+,22-18+/t28-,44+,47-,48+,49+,50-,51+,52+,53+,54-/m1/s1 |
| InChIKey | LSLUXGAAASTSBT-PCNOXXCPSA-N |
| Mol Weight | 1107.0 g/mol |
| Molecular Formula | C54H58O25 |
| Exact Mass | 1106.326717 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DYd0oVpofsp |
|---|---|
| Name | 6'-O-(E)-CINNAMOYLVERBASCOSIDE-OCTAACETATE |
| Compound Number | 11 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C54H58O25 |
| InChI | InChI=1S/C54H58O25/c1-28-47(72-33(6)59)49(73-34(7)60)51(74-35(8)61)54(67-28)79-78-50-48(77-46(64)22-18-38-15-19-40(68-29(2)55)42(25-38)70-31(4)57)44(27-66-45(63)21-17-37-13-11-10-12-14-37)76-53(52(50)75-36(9)62)65-24-23-39-16-20-41(69-30(3)56)43(26-39)71-32(5)58/h10-22,25-26,28,44,47-54H,23-24,27H2,1-9H3/b21-17+,22-18+/t28-,44+,47-,48+,49+,50-,51+,52+,53+,54-/m1/s1 |
| InChIKey | LSLUXGAAASTSBT-PCNOXXCPSA-N |
| Literature Reference Author | R.BENKRIEF,Y.RANARIVELO,A.L.SKALTSOUNIS,F.TILLEQUIN,M.KOCH,J .PUSSET,T.SEVENET |
| Literature Reference Citation | PHYTOCHEM.,47,825(1998) |
| Literature Reference DOI | 10.1016/S0031-9422(97)00994-1 |
| Molecular Weight | 1107.040 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMS256 |