![5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOIC-ACID](/api/spectrum/FkIUyZg00fU/structure.png?h=300&w=458 "5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOIC-ACID")
| SpectraBase Compound ID | K8Id99K8K70 |
|---|---|
| InChI | InChI=1S/C36H58O4/c1-9-25(23(2)3)11-10-24(4)29-14-15-30-28-13-12-26-20-27(40-33(39)22-34(5,6)21-32(37)38)16-18-35(26,7)31(28)17-19-36(29,30)8/h10-12,23-25,27-31H,9,13-22H2,1-8H3,(H,37,38)/b11-10+/t24-,25-,27+,28+,29-,30+,31+,35+,36-/m1/s1 |
| InChIKey | MOWZOUZLWSTUIW-VINMNAGSSA-N |
| Mol Weight | 554.9 g/mol |
| Molecular Formula | C36H58O4 |
| Exact Mass | 554.43351 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkIUyZg00fU |
|---|---|
| Name | 5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-3,3-DIMETHYLPENTANOIC-ACID |
| Compound Number | 2C |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C36H58O4 |
| InChI | InChI=1S/C36H58O4/c1-9-25(23(2)3)11-10-24(4)29-14-15-30-28-13-12-26-20-27(40-33(39)22-34(5,6)21-32(37)38)16-18-35(26,7)31(28)17-19-36(29,30)8/h10-12,23-25,27-31H,9,13-22H2,1-8H3,(H,37,38)/b11-10+/t24-,25-,27+,28+,29-,30+,31+,35+,36-/m1/s1 |
| InChIKey | MOWZOUZLWSTUIW-VINMNAGSSA-N |
| Literature Reference Author | J.SUSTEKOVA,P.DRASAL,D.SAMAN,Z.WIMMER |
| Literature Reference Citation | MOLECULES,16,9357(2011) |
| Literature Reference DOI | 10.3390/molecules16119357 |
| Molecular Weight | 554.854 g/mol |
| Sample ID | 364 |
| Solvent | Unknown |