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| IUPAC Name: | (4R)-4-[(7R,8S,9S,10R,13R,14S,17R)-7-hydroxy-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoic acid |
| Description: | 7α-Hydroxy-3-oxo-chol-4-en-24-oic Acid is used to detect Δ4-3-oxo-steroid 5β-reductase deficiency and is a fetal bile acid found in hepatocellular carcinoma patients. |
| Molecular Weight: | 388.54 |
| Molecular Formula: | C24H36O4 |
| Canonical SMILES: | CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4=CC(=O)CCC34C)O)C |
| 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/h12,14,17-20,22,26H,4-11,13H2,1-3H3,(H,27,28)/t14-,17-,18+,19+,20-,22+,23+,24-/m1/s1 |
| InChI Key: | CFLVYJJIZHNITM-NLXMLWGDSA-N |
| Melting Point: | >220°C (dec.) |
| Solubility: | DMSO (Slightly), Methanol (Slightly) |
| Appearance: | White to Off-White Solid |
| Storage: | Refrigerator |
| References: | Muto, A., et. al. J. Chromatogr. B., 900, 24 (2012); Patterson, A.D., et. al. Cancer Res., 71, 6590 (2011). |
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