| SpectraBase Compound ID | 4M0XVYICbX9 |
|---|---|
| InChI | InChI=1S/C50H86O20/c1-10-13-19-22-31-23-20-17-15-14-16-18-21-24-32(51)65-42-37(56)49(70-44-34(53)33(52)27(6)60-50(44)64-31)63-29(8)40(42)69-48-38(57)43(67-46(59)26(5)12-3)41(30(9)62-48)68-47-36(55)35(54)39(28(7)61-47)66-45(58)25(4)11-2/h25-31,33-44,47-50,52-57H,10-24H2,1-9H3/t25-,26-,27+,28+,29-,30-,31+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43-,44+,47+,48-,49-,50-/m0/s1 |
| InChIKey | OXXPWHDMSFSUSB-YCASIDPHSA-N |
| Mol Weight | 1007.2 g/mol |
| Molecular Formula | C50H86O20 |
| Exact Mass | 1006.571245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2QHcpiYpiZ |
|---|---|
| Name | MURUCOIDIN-XVI |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C50H86O20 |
| InChI | InChI=1S/C50H86O20/c1-10-13-19-22-31-23-20-17-15-14-16-18-21-24-32(51)65-42-37(56)49(70-44-34(53)33(52)27(6)60-50(44)64-31)63-29(8)40(42)69-48-38(57)43(67-46(59)26(5)12-3)41(30(9)62-48)68-47-36(55)35(54)39(28(7)61-47)66-45(58)25(4)11-2/h25-31,33-44,47-50,52-57H,10-24H2,1-9H3/t25-,26-,27+,28+,29-,30-,31+,33-,34-,35+,36-,37+,38+,39+,40-,41-,42-,43-,44+,47+,48-,49-,50-/m0/s1 |
| InChIKey | OXXPWHDMSFSUSB-YCASIDPHSA-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 | 1007.221 g/mol |
| Sample ID | 63978 |
| Solvent | C5D5N |