| SpectraBase Compound ID | GqK4K0hm81S |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-18,22H,4-13H2,1-3H3,(H,27,28) |
| InChIKey | WHQYZHCEDYYAAN-UHFFFAOYSA-N |
| Mol Weight | 388.5 g/mol |
| Molecular Formula | C24H36O4 |
| Exact Mass | 388.26136 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1WYNWfFNu8K |
|---|---|
| Name | Cholan-24-oic acid, 7,12-dioxo-, (5.beta.)- |
| CAS Registry Number | 21059-35-8 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-14(7-10-21(27)28)16-8-9-17-22-18(13-20(26)24(16,17)3)23(2)11-5-4-6-15(23)12-19(22)25/h14-18,22H,4-13H2,1-3H3,(H,27,28) |
| InChIKey | WHQYZHCEDYYAAN-UHFFFAOYSA-N |
| Molecular Weight | 388.548 g/mol |
| SMILES | OC(CCC(C)C1CCC2C1(C(=O)CC1C2C(=O)CC2C1(CCCC2)C)C)=O |
| SPLASH | splash10-000b-0095000000-7970adc6ba3eba6c3e79 |
| Source of Spectrum | T-68-5123-0 |
| Synonyms | 7,12-Dioxocholan-24-oic acid 4-(10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 4-(7,12-diketo-10,13-dimethyl-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid 4-[10,13-dimethyl-7,12-bis(oxidanylidene)-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 5.beta.-Cholan-24-oic acid, 7,12-dioxo- |
| Wiley ID | 1364021 |