| SpectraBase Compound ID | DJfiD8bCrkw |
|---|---|
| InChI | InChI=1S/C33H52O5/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/h10,22-26,35H,11-19H2,1-9H3/t22?,23?,24?,25?,26?,30-,31?,32-,33?/m1/s1 |
| InChIKey | OLKMTWLQMXYFFV-QTCCFCBBSA-N |
| Mol Weight | 528.8 g/mol |
| Molecular Formula | C33H52O5 |
| Exact Mass | 528.381475 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | F2d0vaRXtoP |
|---|---|
| Name | Methyl 3-epi-Sumaresinolate - 3-Acetoxy |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C33H52O5 |
| InChI | InChI=1S/C33H52O5/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/h10,22-26,35H,11-19H2,1-9H3/t22?,23?,24?,25?,26?,30-,31?,32-,33?/m1/s1 |
| InChIKey | OLKMTWLQMXYFFV-QTCCFCBBSA-N |
| Molecular Weight | 528.774 g/mol |
| SMILES | OC1C2C(C(OC(=O)C)CC[C@@]2(C2[C@](C3(C(C4CC(C)(C)CCC4(CC3)C(=O)OC)=CC2)C)(C1)C)C)(C)C |
| SPLASH | splash10-0w29-0190000000-22a8e3f6dff8e095bb18 |
| Source of Spectrum | X2-55-965-6 |
| Wiley ID | 1604502 |