Account methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- Catalog No. :
- ACQSWJ047
- CAS No. :
- 10538-66-6
- Molecular Formula :
- C25H38O5
- Molecular Weight :
- 418.57
IUPAC Name:methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
![methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
|---|---|
| IUPAC Name | methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| Molecular Formula | C25H38O5 |
| Molecular Weight | 418.57 |
| SMILES | COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C |
| InChI Key | PMCNWQOSYVVSNW-YPFJJNLTSA-N |
| Synonym | 7,12-DIKETOLITHOCHOLIC ACID METHYL ESTER;5-BETA-CHOLANIC ACID-3-ALPHA-OL-7,12-DIONE METHYL ESTER;(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-Hydroxy-10,13-dimethyl-7,12-dioxo-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid methyl ester;Cholan-24-oic acid, 3-hydroxy-7,12-dioxo-, methyl ester, (3α,5β)-;Allocholic Acid Impurity 15 |
| CAS No. | 10538-66-6 |
Synthetic Route by SureRoute
2. ACQSWJ047 Molecular Building Block Synthetic Route
methyl (R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7-oxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-4-((3R,5S,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-7,12-dioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
methyl 4-(10,13-dimethyl-3,7,12-trioxohexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate