| SpectraBase Compound ID | FlRJlgfuOo2 |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-19-24(33)20(32)17-22-28(19,4)10-9-21-29(22,5)14-16-31(7)23-18-27(3,25(34)35-8)12-11-26(23,2)13-15-30(21,31)6/h19-23,32H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26+,27+,28+,29+,30+,31-/m0/s1 |
| InChIKey | MFNCTDKBCIZKHN-DEZUHRAMSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lo1fz1rmU47 |
|---|---|
| Name | 2-ALPHA-HYDROXY-POPULNONIC-ACID-METHYLESTER |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-19-24(33)20(32)17-22-28(19,4)10-9-21-29(22,5)14-16-31(7)23-18-27(3,25(34)35-8)12-11-26(23,2)13-15-30(21,31)6/h19-23,32H,9-18H2,1-8H3/t19-,20+,21-,22+,23+,26+,27+,28+,29+,30+,31-/m0/s1 |
| InChIKey | MFNCTDKBCIZKHN-DEZUHRAMSA-N |
| Literature Reference Author | R.ESTRADA,J.CAEDENAS,B.ESQUIVEL,L.RODRIGUEZ-HAHN |
| Literature Reference Citation | PHYTOCHEM.,36,747(1994) |
| Literature Reference DOI | 10.1016/S0031-9422(00)89810-6 |
| Molecular Weight | 486.736 g/mol |
| Solvent | CDCl3:DMSO-D6 |
| Source File Reference | UWMS25721 |