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| IUPAC Name: | methyl (4R)-4-[(3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-diacetyloxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoate |
| Description: | 3α,7β-Di-O-acetyl Ursodeoxycholic Acid Methyl Ester is a reactant used in the preparation of bile acids and their metabolites. |
| Molecular Weight: | 490.67 |
| Molecular Formula: | C29H46O6 |
| Canonical SMILES: | CC(CCC(=O)OC)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)OC(=O)C)C)OC(=O)C)C |
| InChI: | InChI=1S/C29H46O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h17,20-25,27H,7-16H2,1-6H3/t17-,20+,21-,22-,23+,24+,25+,27+,28+,29-/m1/s1 |
| InChI Key: | ZKHVKSAMEUAGEN-OSBYRPBFSA-N |
| Solubility: | Acetone, Dichloromethane, Methanol |
| Appearance: | Yellow Sticky Oil |
| Storage: | Refrigerator |
| References: | Kakiyama, G. et al. Chem. Pharmaceut. Bull., 52, 371 (2004); Iida, T. et al. J. Chem. Soc. Perk. T 1., 18, 2229 (2001). |
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