| SpectraBase Compound ID | E2AcEv9YnE8 |
|---|---|
| InChI | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m1/s1 |
| InChIKey | IYMHVUYNBVWXKH-MMQHQYPESA-N |
| Mol Weight | 784.5 g/mol |
| Molecular Formula | C34H24O22 |
| Exact Mass | 784.075922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JvkyADBx9Lc |
|---|---|
| Name | PEDUNCULAGIN |
| Compound Number | 32A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H24O22 |
| InChI | InChI=1S/C34H24O22/c35-10-1-6-15(23(43)19(10)39)16-7(2-11(36)20(40)24(16)44)31(48)54-27-14(5-52-30(6)47)53-34(51)29-28(27)55-32(49)8-3-12(37)21(41)25(45)17(8)18-9(33(50)56-29)4-13(38)22(42)26(18)46/h1-4,14,27-29,34-46,51H,5H2/t14-,27-,28+,29-,34-/m1/s1 |
| InChIKey | IYMHVUYNBVWXKH-MMQHQYPESA-N |
| Literature Reference Author | D.M.O.SERNA,J.H.I.MARTINEZ |
| Literature Reference Citation | MOLECULES,20,17818(2015) |
| Literature Reference DOI | 10.3390/molecules201017818 |
| Molecular Weight | 784.551 g/mol |
| Solvent | Unknown |
| Source File Reference | UWPA5197 |