| SpectraBase Compound ID | 4ksGglCwbpu |
|---|---|
| InChI | InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20+/m1/s1 |
| InChIKey | QUIYFMAFJIAUMA-PCMNTEJDSA-N |
| Mol Weight | 318.46 g/mol |
| Molecular Formula | C20H30O3 |
| Exact Mass | 318.219495 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4z6akNdADDD |
|---|---|
| Name | Mulinenic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O3 |
| InChI | InChI=1S/C20H30O3/c1-13(2)14-4-5-16-15-6-7-18(3)8-9-19(15,12-23-18)10-11-20(14,16)17(21)22/h6-7,13-16H,4-5,8-12H2,1-3H3,(H,21,22)/t14-,15+,16+,18-,19-,20+/m1/s1 |
| InChIKey | QUIYFMAFJIAUMA-PCMNTEJDSA-N |
| Molecular Weight | 318.457 g/mol |
| SMILES | OC([C@]12[C@]([C@@]3(C=C[C@]4(C)CC[C@@]3(CC2)CO4)[H])(CC[C@@]1(C(C)C)[H])[H])=O |
| SPLASH | splash10-0006-9130000000-087866d95e09334de334 |
| Source of Spectrum | X2-54-1407-4 |
| Wiley ID | 1604251 |