| SpectraBase Compound ID | FwQDVLVbmdf |
|---|---|
| InChI | InChI=1S/C33H50O4/c1-20(2)21(3)10-11-23(29(35)36)24-14-18-33(9)26-12-13-27-30(5,6)28(37-22(4)34)16-17-31(27,7)25(26)15-19-32(24,33)8/h12,15,20,23-24,27-28H,3,10-11,13-14,16-19H2,1-2,4-9H3,(H,35,36)/t23-,24?,27?,28-,31+,32+,33-/m0/s1 |
| InChIKey | AYHCPTDPDUADTK-YYTXGUCVSA-N |
| Mol Weight | 510.8 g/mol |
| Molecular Formula | C33H50O4 |
| Exact Mass | 510.37091 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G5yLnPpry48 |
|---|---|
| Name | DEHYDROEBURICOIC-ACID-MONOACETATE |
| Compound Number | 9 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C33H50O4 |
| InChI | InChI=1S/C33H50O4/c1-20(2)21(3)10-11-23(29(35)36)24-14-18-33(9)26-12-13-27-30(5,6)28(37-22(4)34)16-17-31(27,7)25(26)15-19-32(24,33)8/h12,15,20,23-24,27-28H,3,10-11,13-14,16-19H2,1-2,4-9H3,(H,35,36)/t23-,24?,27?,28-,31+,32+,33-/m0/s1 |
| InChIKey | AYHCPTDPDUADTK-YYTXGUCVSA-N |
| Literature Reference Author | S.W.YANG,Y.C.SHEN,C.H.CHEN |
| Literature Reference Citation | PHYTOCHEM.,41,1389(1996) |
| Literature Reference DOI | 10.1016/0031-9422(95)00767-9 |
| Molecular Weight | 510.758 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWLU4412 |