| SpectraBase Compound ID | 3ewCiyTOp0A |
|---|---|
| InChI | InChI=1S/C24H36O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h7,10,12,14,16-18,20-22,26H,4-6,8-9,11,13,15H2,1-3H3/t16?,17-,18-,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | MSKMNFJFKQMBJM-BDHOPPHYSA-N |
| Mol Weight | 356.6 g/mol |
| Molecular Formula | C24H36O2 |
| Exact Mass | 356.27153 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 6SQy7BoQDHM |
|---|---|
| Name | 3.alpha.-Hydroxy-5.beta.-chola-1,7-dien-24-al |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O2 |
| InChI | InChI=1S/C24H36O2/c1-16(5-4-14-25)20-8-9-21-19-7-6-17-15-18(26)10-12-23(17,2)22(19)11-13-24(20,21)3/h7,10,12,14,16-18,20-22,26H,4-6,8-9,11,13,15H2,1-3H3/t16?,17-,18-,20-,21+,22+,23+,24-/m1/s1 |
| InChIKey | MSKMNFJFKQMBJM-BDHOPPHYSA-N |
| Molecular Weight | 356.550 g/mol |
| SMILES | O[C@]1(C[C@]2(CC=C3[C@]4([C@]([C@](C(CCC=O)C)([H])CC4)(C)CC[C@@]3([C@]2(C=C1)C)[H])[H])[H])[H] |
| SPLASH | splash10-03dj-0983000000-129ffc72309a7e955063 |
| Source of Spectrum | F-49-2495-20 |
| Synonyms | (3alpha,5beta)-3-hydroxychola-1,7-dien-24-al |
| Wiley ID | 1346219 |