| SpectraBase Compound ID | L42TIVcMcNj |
|---|---|
| InChI | InChI=1S/C20H30O4/c1-11(2)13-5-6-14-17-15-9-12(3)16(24-23-15)10-19(17,4)7-8-20(13,14)18(21)22/h9,11,13-17H,5-8,10H2,1-4H3,(H,21,22)/t13-,14+,15?,16?,17-,19+,20+/m1/s1 |
| InChIKey | DZRRDUPSIKHAKM-KQJOLBPOSA-N |
| Mol Weight | 334.46 g/mol |
| Molecular Formula | C20H30O4 |
| Exact Mass | 334.214409 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HUfgoQHZXrC |
|---|---|
| Name | Mulinic acid |
| CAS Registry Number | 130827-01-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H30O4 |
| InChI | InChI=1S/C20H30O4/c1-11(2)13-5-6-14-17-15-9-12(3)16(24-23-15)10-19(17,4)7-8-20(13,14)18(21)22/h9,11,13-17H,5-8,10H2,1-4H3,(H,21,22)/t13-,14+,15?,16?,17-,19+,20+/m1/s1 |
| InChIKey | DZRRDUPSIKHAKM-KQJOLBPOSA-N |
| Molecular Weight | 334.456 g/mol |
| SMILES | OC([C@]12[C@]([C@@]3(C4C=C(C)C(C[C@@]3(CC2)C)OO4)[H])(CC[C@@]1(C(C)C)[H])[H])=O |
| SPLASH | splash10-0006-9501000000-f6eb65ef24e08919d902 |
| Source of Spectrum | F-46-5418-1 |
| Wiley ID | 1331127 |