| SpectraBase Compound ID | 9GtDm3Q3Qto |
|---|---|
| InChI | InChI=1S/C37H46O12/c1-9-19(3)27(40)46-28-31(6)18-33(41)32(7,22(31)15-24(38)43-8)34-13-12-30(5)23(16-25(39)45-26(30)21-11-14-44-17-21)36(34)29(35(28,33)42)47-37(48-34,49-36)20(4)10-2/h9,11,14,16-17,20,22,26,28-29,41-42H,10,12-13,15,18H2,1-8H3/b19-9+/t20?,22-,26-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-/m0/s1 |
| InChIKey | SPKRHHRYAOXOEE-MGUHXJSZSA-N |
| Mol Weight | 682.8 g/mol |
| Molecular Formula | C37H46O12 |
| Exact Mass | 682.298927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jso0eryYLs9 |
|---|---|
| Name | SWIETEPHRAGMIN-C |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H46O12 |
| InChI | InChI=1S/C37H46O12/c1-9-19(3)27(40)46-28-31(6)18-33(41)32(7,22(31)15-24(38)43-8)34-13-12-30(5)23(16-25(39)45-26(30)21-11-14-44-17-21)36(34)29(35(28,33)42)47-37(48-34,49-36)20(4)10-2/h9,11,14,16-17,20,22,26,28-29,41-42H,10,12-13,15,18H2,1-8H3/b19-9+/t20?,22-,26-,28-,29+,30+,31-,32+,33+,34-,35-,36+,37-/m0/s1 |
| InChIKey | SPKRHHRYAOXOEE-MGUHXJSZSA-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 | 682.765 g/mol |
| Sample ID | 66060 |
| Solvent | CDCl3 |