| SpectraBase Compound ID | 1aaJEuaeZUP |
|---|---|
| InChI | InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22+,23-,24-,25+,26+,27-,28+,29+,30-,31+,32+,33+,34-,35+,36-,37-,38+,39-,40-,41+,42-,45+,46-,47-,48-/m1/s1 |
| InChIKey | KFIUIESFCPQQCY-SWNLBVIISA-N |
| Mol Weight | 947.2 g/mol |
| Molecular Formula | C48H82O18 |
| Exact Mass | 946.550116 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HKL70XsVMNr |
|---|---|
| Name | NEOALSOSIDE_A |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H82O18 |
| InChI | InChI=1S/C48H82O18/c1-20-30(52)33(55)35(57)40(60-20)64-37-32(54)25(19-49)62-42(38(37)65-41-36(58)34(56)31(53)21(2)61-41)63-28-13-14-45(7)26(43(28,3)4)12-16-46(8)27(45)17-23(50)29-22(11-15-47(29,46)9)48(10)18-24(51)39(66-48)44(5,6)59/h20-42,49-59H,11-19H2,1-10H3/t20-,21+,22+,23-,24-,25+,26+,27-,28+,29+,30-,31+,32+,33+,34-,35+,36-,37-,38+,39-,40-,41+,42-,45+,46-,47-,48-/m1/s1 |
| InChIKey | KFIUIESFCPQQCY-SWNLBVIISA-N |
| Literature Reference Author | S.FUJITA,R.KASAI,K.OHTANI,K.YAMASAKI,C.M.HUA,N.RUI-LIN,O.TAN AKA |
| Literature Reference Citation | PHYTOCHEM.,39,591(1995) |
| Literature Reference DOI | 10.1016/0031-9422(95)00020-8 |
| Molecular Weight | 947.168 g/mol |
| Solvent | C5D5N |
| Source File Reference | UWMZ8525 |