| SpectraBase Compound ID | 3qp4MpuDBTS |
|---|---|
| InChI | InChI=1S/C37H46O13/c1-9-18(3)26(40)47-28-31(6)17-33(42)32(7,24(31)23(39)27(41)44-8)34-13-12-30(5)21(15-22(38)46-25(30)20-11-14-45-16-20)36(34)29(35(28,33)43)48-37(49-34,50-36)19(4)10-2/h9,11,14-16,19,23-25,28-29,39,42-43H,10,12-13,17H2,1-8H3/b18-9+/t19?,23-,24-,25-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-/m0/s1 |
| InChIKey | JTGDLRQPWQUGEM-VEXRMCSFSA-N |
| Mol Weight | 698.8 g/mol |
| Molecular Formula | C37H46O13 |
| Exact Mass | 698.293842 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3bLSE9VrEtR |
|---|---|
| Name | SWIETEPHRAGMIN-E |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O13 |
| InChI | InChI=1S/C37H46O13/c1-9-18(3)26(40)47-28-31(6)17-33(42)32(7,24(31)23(39)27(41)44-8)34-13-12-30(5)21(15-22(38)46-25(30)20-11-14-45-16-20)36(34)29(35(28,33)43)48-37(49-34,50-36)19(4)10-2/h9,11,14-16,19,23-25,28-29,39,42-43H,10,12-13,17H2,1-8H3/b18-9+/t19?,23-,24-,25-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-/m0/s1 |
| InChIKey | JTGDLRQPWQUGEM-VEXRMCSFSA-N |
| Literature Reference Author | S.A.M.ABDELGALEIL,M.DOE,Y.MORIMOTO,M.NAKATANI |
| Literature Reference Citation | PHYTOCHEM.,67,452(2006) |
| Literature Reference DOI | 10.1016/j.phytochem.2005.11.020 |
| Molecular Weight | 698.764 g/mol |
| Sample ID | 66062 |
| Solvent | CDCl3 |