![5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOIC-ACID](/api/spectrum/GKDr9YAefS2/structure.png?h=300&w=458 "5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOIC-ACID")
| SpectraBase Compound ID | GzECfSEWB2i |
|---|---|
| InChI | InChI=1S/C34H54O4/c1-7-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(38-32(37)10-8-9-31(35)36)17-19-33(25,5)30(27)18-20-34(28,29)6/h11-13,22-24,26-30H,7-10,14-21H2,1-6H3,(H,35,36)/b12-11+/t23-,24-,26+,27+,28-,29+,30+,33+,34-/m1/s1 |
| InChIKey | CLASUSBKNSBXGX-CSJYWFLKSA-N |
| Mol Weight | 526.8 g/mol |
| Molecular Formula | C34H54O4 |
| Exact Mass | 526.40221 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GKDr9YAefS2 |
|---|---|
| Name | 5-OXO-5-[(3-BETA,22E)-STIGMASTA-5,22-DIEN-3-YLOXY]-PENTANOIC-ACID |
| Compound Number | 2B |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C34H54O4 |
| InChI | InChI=1S/C34H54O4/c1-7-24(22(2)3)12-11-23(4)28-15-16-29-27-14-13-25-21-26(38-32(37)10-8-9-31(35)36)17-19-33(25,5)30(27)18-20-34(28,29)6/h11-13,22-24,26-30H,7-10,14-21H2,1-6H3,(H,35,36)/b12-11+/t23-,24-,26+,27+,28-,29+,30+,33+,34-/m1/s1 |
| InChIKey | CLASUSBKNSBXGX-CSJYWFLKSA-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 | 526.800 g/mol |
| Sample ID | 363 |
| Solvent | Unknown |