| SpectraBase Compound ID | 4kFWBshGxCr |
|---|---|
| InChI | InChI=1S/C46H54O24/c1-21(47)57-18-31-36(61-23(3)49)38(63-25(5)51)40(65-27(7)53)44(67-31)58-19-32-37(62-24(4)50)39(64-26(6)52)41(66-28(8)54)45(68-32)69-43-34-30(16-17-56-43)35(60-22(2)48)42-46(34,70-42)20-59-33(55)15-14-29-12-10-9-11-13-29/h9-17,30-32,34-45H,18-20H2,1-8H3/b15-14+/t30?,31-,32-,34?,35+,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-/m1/s1 |
| InChIKey | AUIVGPVFUYHALW-ZCYXBDRFSA-N |
| Mol Weight | 990.9 g/mol |
| Molecular Formula | C46H54O24 |
| Exact Mass | 990.300503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3GToaFagj2D |
|---|---|
| Name | SCALBIDOSIDE-OCTAACETATE |
| Compound Number | 1A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C46H54O24 |
| InChI | InChI=1S/C46H54O24/c1-21(47)57-18-31-36(61-23(3)49)38(63-25(5)51)40(65-27(7)53)44(67-31)58-19-32-37(62-24(4)50)39(64-26(6)52)41(66-28(8)54)45(68-32)69-43-34-30(16-17-56-43)35(60-22(2)48)42-46(34,70-42)20-59-33(55)15-14-29-12-10-9-11-13-29/h9-17,30-32,34-45H,18-20H2,1-8H3/b15-14+/t30?,31-,32-,34?,35+,36-,37-,38+,39+,40-,41-,42+,43+,44+,45+,46-/m1/s1 |
| InChIKey | AUIVGPVFUYHALW-ZCYXBDRFSA-N |
| Literature Reference Author | I.CALIS,T.ERSOEZ,I.SARACOGLU,O.STICHER |
| Literature Reference Citation | PHYTOCHEM.,32,1213(1993) |
| Literature Reference DOI | 10.1016/S0031-9422(00)95094-5 |
| Molecular Weight | 990.920 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU6371 |