| SpectraBase Compound ID | LXWY9wS1DP4 |
|---|---|
| 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-NCBKUUQOSA-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 | IPASk7rkNna |
|---|---|
| Name | Eburicoic acid |
| 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-NCBKUUQOSA-N |
| Molecular Weight | 470.738 g/mol |
| SMILES | OC1CC[C@@]2(C3=C([C@]4([C@@](C([C@](C(=O)O)(CCC(=C)C(C)C)[H])CC4)(CC3)C)C)CCC2C1(C)C)C |
| SPLASH | splash10-0abi-0021900000-559a8f8ca1a23ddfa029 |
| Source of Spectrum | X3-36-75-1 |
| Wiley ID | 1691846 |