| SpectraBase Compound ID | Ij6J5c0HVjx |
|---|---|
| InChI | InChI=1S/C24H32O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h4-6,9,14-15,18-21H,7-8,10-13H2,1-3H3,(H,26,27)/b9-4+/t15?,18-,19+,20-,21-,23-,24+/m0/s1 |
| InChIKey | RDEAHSQXFDTFBM-LZJVDRFMSA-N |
| Mol Weight | 368.5 g/mol |
| Molecular Formula | C24H32O3 |
| Exact Mass | 368.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4jx1hO5nqs1 |
|---|---|
| Name | (22E)-3-Oxochola-4,6,22-trien-24-oic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H32O3 |
| InChI | InChI=1S/C24H32O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h4-6,9,14-15,18-21H,7-8,10-13H2,1-3H3,(H,26,27)/b9-4+/t15?,18-,19+,20-,21-,23-,24+/m0/s1 |
| InChIKey | RDEAHSQXFDTFBM-LZJVDRFMSA-N |
| Molecular Weight | 368.517 g/mol |
| SMILES | OC(\C=C\C([C@@]1([C@@]2([C@]([C@@]3(C=CC=4[C@@]([C@]3(CC2)[H])(CCC(C4)=O)C)[H])(CC1)[H])C)[H])C)=O |
| SPLASH | splash10-004i-9101000000-e912006ac1eb85366591 |
| Source of Spectrum | H-79-987-1 |
| Wiley ID | 1353357 |