| SpectraBase Compound ID | 1zZXvouzRu3 |
|---|---|
| InChI | InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1 |
| InChIKey | UGMQOYZVOPASJF-OXUZYLMNSA-N |
| Mol Weight | 470.7 g/mol |
| Molecular Formula | C31H50O3 |
| Exact Mass | 470.375995 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | JCfJcB8axWi |
|---|---|
| Name | Eburicoic acid |
| Appearance | Colorless needle crystals |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C31H50O3 |
| InChI | InChI=1S/C31H50O3/c1-19(2)20(3)9-10-21(27(33)34)22-13-17-31(8)24-11-12-25-28(4,5)26(32)15-16-29(25,6)23(24)14-18-30(22,31)7/h19,21-22,25-26,32H,3,9-18H2,1-2,4-8H3,(H,33,34)/t21-,22-,25+,26+,29-,30-,31+/m1/s1 |
| InChIKey | UGMQOYZVOPASJF-OXUZYLMNSA-N |
| Ionization Type | EI |
| Molecular Weight | 470.738 g/mol |
| Optical Rotation | [a]D26 = +39 (c = 1.0, pridine) |
| SMILES | O[C@@]1(C([C@@]2(CCC=3[C@@]4(CC[C@]([C@](C(=O)O)(CCC(=C)C(C)C)[H])([C@]4(CCC3[C@]2(CC1)C)C)[H])C)[H])(C)C)[H] |
| SPLASH | splash10-0a4r-4000900000-515fbfd6ba4eec4c9ccb |
| Source of Spectrum | CN101200752B |
| Wiley ID | 1841427 |