| SpectraBase Compound ID | 8BprzRs37h |
|---|---|
| InChI | InChI=1S/C51H58O28/c1-23(52)64-21-41-44(72-30(8)59)46(73-31(9)60)49(75-33(11)62)51(77-41)79-47-45(78-43(63)17-13-34-12-15-36(67-25(3)54)38(18-34)69-27(5)56)42(22-65-24(2)53)76-50(48(47)74-32(10)61)66-20-40(71-29(7)58)35-14-16-37(68-26(4)55)39(19-35)70-28(6)57/h12-19,40-42,44-51H,20-22H2,1-11H3/b17-13+/t40?,41-,42+,44-,45+,46+,47-,48+,49-,50+,51+/m1/s1 |
| InChIKey | KEJRTNKPZDBWPN-MGGXNXQXSA-N |
| Mol Weight | 1119.0 g/mol |
| Molecular Formula | C51H58O28 |
| Exact Mass | 1118.311461 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DOAYoCSdmoT |
|---|---|
| Name | HELLICOSIDE-PERACETYALTED |
| Compound Number | 5A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C51H58O28 |
| InChI | InChI=1S/C51H58O28/c1-23(52)64-21-41-44(72-30(8)59)46(73-31(9)60)49(75-33(11)62)51(77-41)79-47-45(78-43(63)17-13-34-12-15-36(67-25(3)54)38(18-34)69-27(5)56)42(22-65-24(2)53)76-50(48(47)74-32(10)61)66-20-40(71-29(7)58)35-14-16-37(68-26(4)55)39(19-35)70-28(6)57/h12-19,40-42,44-51H,20-22H2,1-11H3/b17-13+/t40?,41-,42+,44-,45+,46+,47-,48+,49-,50+,51+/m1/s1 |
| InChIKey | KEJRTNKPZDBWPN-MGGXNXQXSA-N |
| Literature Reference Author | H.RAVN,S.NISHIBE,M.SASAHARA,L.XUEBO |
| Literature Reference Citation | PHYTOCHEM.,29,3627(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)85289-R |
| Molecular Weight | 1119.005 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU26922 |