| SpectraBase Compound ID | LpjJI1c2n9u |
|---|---|
| InChI | InChI=1S/C27H36O16/c1-11(28)36-10-18-21(39-13(3)30)22(40-14(4)31)23(41-15(5)32)26(42-18)43-25-20-19(16(9-37-25)24(33)35-7)17(38-12(2)29)8-27(20,6)34/h9,17-23,25-26,34H,8,10H2,1-7H3/t17-,18+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | JBISESMDBQTVMV-CFHNPICMSA-N |
| Mol Weight | 616.6 g/mol |
| Molecular Formula | C27H36O16 |
| Exact Mass | 616.200335 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Js2VSIMVb9N |
|---|---|
| Name | SHANZHISIDE-METHYLESTER-PENTA-ACETATE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C27H36O16 |
| InChI | InChI=1S/C27H36O16/c1-11(28)36-10-18-21(39-13(3)30)22(40-14(4)31)23(41-15(5)32)26(42-18)43-25-20-19(16(9-37-25)24(33)35-7)17(38-12(2)29)8-27(20,6)34/h9,17-23,25-26,34H,8,10H2,1-7H3/t17-,18+,19+,20-,21+,22-,23+,25+,26-,27+/m1/s1 |
| InChIKey | JBISESMDBQTVMV-CFHNPICMSA-N |
| Literature Reference Author | L.T.BYRNE,J.M.SASSE,B.W.SKELTON,A.SUKSAMRARN,A.H.WHITE |
| Literature Reference Citation | AUSTR.J.CHEM.,40,785(1987) |
| Literature Reference DOI | 10.1071/ch9870785 |
| Molecular Weight | 616.573 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWWR124 |