| SpectraBase Compound ID | 2oOQxIjSrCA |
|---|---|
| InChI | InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22?,24?,25?,26?,30-,31?,32-,33?/m1/s1 |
| InChIKey | AXKBLMKSCAWBGH-LSIVTEPUSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C33H50O5 |
| Exact Mass | 526.365825 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7Azhmcj5Vr5 |
|---|---|
| Name | Methyl 6-oxo-Sumaresinolate - 3-epi-Acetate |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H50O5 |
| InChI | InChI=1S/C33H50O5/c1-20(34)38-25-12-13-30(6)24-11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,7)32(24,8)19-23(35)26(30)29(25,4)5/h10,22,24-26H,11-19H2,1-9H3/t22?,24?,25?,26?,30-,31?,32-,33?/m1/s1 |
| InChIKey | AXKBLMKSCAWBGH-LSIVTEPUSA-N |
| Molecular Weight | 526.758 g/mol |
| SMILES | [C@@]12(C3(C(C4CC(C)(C)CCC4(CC3)C(=O)OC)=CCC1[C@]1(CCC(C(C1C(C2)=O)(C)C)OC(=O)C)C)C)C |
| SPLASH | splash10-0udi-0190100000-1140c6ce1a8c5bcb7541 |
| Source of Spectrum | X2-55-965-8 |
| Synonyms | Methyl 6-oxo-Sumaresinolate - 3-Acetate |
| Wiley ID | 1604500 |