| SpectraBase Compound ID | JGEdtwqb6Kn |
|---|---|
| InChI | InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28) |
| InChIKey | IOOKJGQHLHXYEF-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 | 4jaCL5N2omz |
|---|---|
| Name | Cholan-24-oic acid, 3,7-dioxo-, (5.beta.)- |
| Alternate Name(s) | 3,7-Dioxocholan-24-oic acid 3,7-Diketochenodeoxycholic acid 4-(10,13-dimethyl-3,7-dioxo-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid 4-(3,7-diketo-10,13-dimethyl-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)valeric acid 4-[10,13-dimethyl-3,7-bis(oxidanylidene)-2,4,5,6,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid 5.beta.-Cholan-24-oic acid, 3,7-dioxo- Chenodeoxycholic acid, dehydro- Dehydrochenodeoxycholic acid CCRIS 3988 |
| CAS Registry Number | 859-97-2 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H36O4 |
| InChI | InChI=1S/C24H36O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-15,17-19,22H,4-13H2,1-3H3,(H,27,28) |
| InChIKey | IOOKJGQHLHXYEF-UHFFFAOYSA-N |
| Molecular Weight | 388.548 g/mol |
| SMILES | OC(CCC(C)C1CCC2C1(CCC1C2C(=O)CC2C1(CCC(=O)C2)C)C)=O |
| SPLASH | splash10-000i-0694000000-b84b8aae14f6134099c5 |
| Source of Spectrum | T-66-2308-0 |
| Wiley ID | 56104 |