| SpectraBase Compound ID | 4lOVyJNgoKl |
|---|---|
| InChI | InChI=1S/C37H49F3O9/c1-23(19-32(43)48-29(21-46-26(4)41)22-47-27(5)42)17-18-34(6)25(3)30(20-35(7)24(2)13-12-16-31(34)35)49-33(44)36(45-8,37(38,39)40)28-14-10-9-11-15-28/h9-11,13-15,19,25,29-31H,12,16-18,20-22H2,1-8H3/b23-19+/t25-,30-,31-,34+,35+,36+/m0/s1 |
| InChIKey | VBUXENCBSRZIFI-OQDCBVIQSA-N |
| Mol Weight | 694.8 g/mol |
| Molecular Formula | C37H49F3O9 |
| Exact Mass | 694.332868 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4yMrwSbFzef |
|---|---|
| Name | PALMADORIN_C_DIACETATE-(S)-MTPA |
| Compound Number | 7 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C37H49F3O9 |
| InChI | InChI=1S/C37H49F3O9/c1-23(19-32(43)48-29(21-46-26(4)41)22-47-27(5)42)17-18-34(6)25(3)30(20-35(7)24(2)13-12-16-31(34)35)49-33(44)36(45-8,37(38,39)40)28-14-10-9-11-15-28/h9-11,13-15,19,25,29-31H,12,16-18,20-22H2,1-8H3/b23-19+/t25-,30-,31-,34+,35+,36+/m0/s1 |
| InChIKey | VBUXENCBSRZIFI-OQDCBVIQSA-N |
| Literature Reference Author | T.DIYABALANAGE,K.B.IKEN,J.B.MCCLINTOCK,C.D.AMSLER,B.J.BAKER |
| Literature Reference Citation | J.NAT.PROD.,73,416(2010) |
| Literature Reference DOI | 10.1021/np900617m |
| Molecular Weight | 694.786 g/mol |
| Sample ID | 35086 |
| Solvent | CDCl3 |