| SpectraBase Compound ID | ILoUHzjzygA |
|---|---|
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5)12-11-23(33)27(3,4)24(28)21(32)18-30(22,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23?,24?,28-,29?,30-,31?/m1/s1 |
| InChIKey | VPJPXMDBFYMWJB-QTZAOSAXSA-N |
| Mol Weight | 486.7 g/mol |
| Molecular Formula | C31H50O4 |
| Exact Mass | 486.37091 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | EhpIqLlDmOn |
|---|---|
| Name | Methyl sumaresinolate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O4 |
| InChI | InChI=1S/C31H50O4/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-22-28(5)12-11-23(33)27(3,4)24(28)21(32)18-30(22,29)7/h9,20-24,32-33H,10-18H2,1-8H3/t20?,21?,22?,23?,24?,28-,29?,30-,31?/m1/s1 |
| InChIKey | VPJPXMDBFYMWJB-QTZAOSAXSA-N |
| Molecular Weight | 486.737 g/mol |
| SMILES | OC1C2C(C(CC[C@@]2(C2CC=C3C([C@@]2(C1)C)(CCC1(CCC(CC31)(C)C)C(=O)OC)C)C)O)(C)C |
| SPLASH | splash10-0w29-0290000000-8b9003935d8d489e049e |
| Source of Spectrum | X2-55-964-3 |
| Synonyms | Methyl 3-epi-Sumaresinolate |
| Wiley ID | 1604504 |