| SpectraBase Compound ID | EVbD2dg1shG |
|---|---|
| InChI | InChI=1S/C57H100O21/c1-8-11-13-14-15-16-19-22-26-30-39(59)73-50-45(65)55(69-35(6)48(50)76-54-44(64)43(63)47(34(5)68-54)75-53(67)33(4)10-3)77-49-36(7)70-56-46(66)51(49)74-40(60)31-27-23-20-17-18-21-25-29-37(28-24-12-9-2)71-57-52(78-56)42(62)41(61)38(32-58)72-57/h33-38,41-52,54-58,61-66H,8-32H2,1-7H3/t33-,34-,35-,36-,37+,38+,41+,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52+,54-,55-,56-,57+/m0/s1 |
| InChIKey | YTXLTBYXFDWEKG-CHCXLSAUSA-N |
| Mol Weight | 1121.4 g/mol |
| Molecular Formula | C57H100O21 |
| Exact Mass | 1120.67571 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIZvbWFqPJA |
|---|---|
| Name | MURUCOIDIN-XIII |
| Compound Number | 2 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C57H100O21 |
| InChI | InChI=1S/C57H100O21/c1-8-11-13-14-15-16-19-22-26-30-39(59)73-50-45(65)55(69-35(6)48(50)76-54-44(64)43(63)47(34(5)68-54)75-53(67)33(4)10-3)77-49-36(7)70-56-46(66)51(49)74-40(60)31-27-23-20-17-18-21-25-29-37(28-24-12-9-2)71-57-52(78-56)42(62)41(61)38(32-58)72-57/h33-38,41-52,54-58,61-66H,8-32H2,1-7H3/t33-,34-,35-,36-,37+,38+,41+,42-,43-,44+,45+,46+,47-,48-,49-,50-,51-,52+,54-,55-,56-,57+/m0/s1 |
| InChIKey | YTXLTBYXFDWEKG-CHCXLSAUSA-N |
| Literature Reference Author | L.CHERIGO,R.PEREDA-MIRANDA,S.GIBBONS |
| Literature Reference Citation | PHYTOCHEM.,70,222(2009) |
| Literature Reference DOI | 10.1016/j.phytochem.2008.12.005 |
| Molecular Weight | 1121.408 g/mol |
| Sample ID | 63975 |
| Solvent | C5D5N |