| SpectraBase Compound ID | IhKFvzlozWN |
|---|---|
| InChI | InChI=1S/C58H80O28/c1-25(59)70-21-37-41(73-28(4)62)44(76-31(7)65)47(78-33(9)67)51(80-37)83-46-43(75-30(6)64)39(23-72-27(3)61)82-53(49(46)84-52-48(79-34(10)68)45(77-32(8)66)42(74-29(5)63)38(81-52)22-71-26(2)60)85-54(69)56(12)17-14-16-55(11)40(56)15-18-58-20-35-19-36(50(55)58)86-57(35,13)24-58/h35-53H,14-24H2,1-13H3/t35-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45+,46-,47+,48-,49+,50?,51-,52+,53-,55+,56+,57+,58-/m0/s1 |
| InChIKey | VCOOLPVVBDEETC-AEMUBECZSA-N |
| Mol Weight | 1225.2 g/mol |
| Molecular Formula | C58H80O28 |
| Exact Mass | 1224.483612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LcyeubU8kpx |
|---|---|
| Name | SUBPUESCENSOSIDE_PERACETATE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C58H80O28 |
| InChI | InChI=1S/C58H80O28/c1-25(59)70-21-37-41(73-28(4)62)44(76-31(7)65)47(78-33(9)67)51(80-37)83-46-43(75-30(6)64)39(23-72-27(3)61)82-53(49(46)84-52-48(79-34(10)68)45(77-32(8)66)42(74-29(5)63)38(81-52)22-71-26(2)60)85-54(69)56(12)17-14-16-55(11)40(56)15-18-58-20-35-19-36(50(55)58)86-57(35,13)24-58/h35-53H,14-24H2,1-13H3/t35-,36-,37+,38-,39+,40-,41+,42-,43+,44-,45+,46-,47+,48-,49+,50?,51-,52+,53-,55+,56+,57+,58-/m0/s1 |
| InChIKey | VCOOLPVVBDEETC-AEMUBECZSA-N |
| Literature Reference Author | L.U.ROMAN,J.M.TORRES,R.REYES,J.D.HERNANDEZ,C.M.CERDA-GARCIA- ROJAS,P.JOSEPH-NATHA |
| Literature Reference Citation | PHYTOCHEM.,39,1133(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00063-D |
| Molecular Weight | 1225.256 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ7718 |