| SpectraBase Compound ID | ACYMvRCW0lM |
|---|---|
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1 |
| InChIKey | UROPGAQBZGIPQC-VUHMTIHWSA-N |
| Mol Weight | 498.7 g/mol |
| Molecular Formula | C32H50O4 |
| Exact Mass | 498.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2mwNCZN426X |
|---|---|
| Name | 3-ACETYL-ALEURITOLIC-ACID |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C32H50O4 |
| InChI | InChI=1S/C32H50O4/c1-20(33)36-25-12-15-29(6)21(28(25,4)5)9-13-30(7)22(29)10-14-31(8)23(30)11-16-32(26(34)35)18-17-27(2,3)19-24(31)32/h11,21-22,24-25H,9-10,12-19H2,1-8H3,(H,34,35)/t21-,22+,24-,25-,29-,30+,31+,32+/m0/s1 |
| InChIKey | UROPGAQBZGIPQC-VUHMTIHWSA-N |
| Literature Reference Author | S.PRACHAYASITTIKUL,S.SUPHAPONG,A.WORACHARTCHEEWAN,R.LAWUNG,S .RUCHIRAWAT,V.PRACHA |
| Literature Reference Citation | MOLECULES,14,850(2009) |
| Literature Reference DOI | 10.3390/molecules14020850 |
| Molecular Weight | 498.747 g/mol |
| Sample ID | 69328 |
| Solvent | CDCl3 |