Account (R)-Methyl 4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
- Catalog No. :
- ACDMTX256
- CAS No. :
- 1448-36-8
- Molecular Formula :
- C25H42O5
- Molecular Weight :
- 422.61
IUPAC Name:methyl (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
![(R)-Methyl 4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (R)-Methyl 4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
|---|---|
| IUPAC Name | methyl (R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate |
| MDL No. | MFCD00064934 |
| Molecular Formula | C25H42O5 |
| Molecular Weight | 422.61 |
| SMILES | C[C@@H]([C@H]1CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)CCC(OC)=O |
| InChI Key | DLYVTEULDNMQAR-SRNOMOOLSA-N |
| Synonym | Methyl cholate | 1448-36-8 | CHOLIC ACID METHYL ESTER | Cholic acid, methyl ester | E1P59HQX4Q | Cholan-24-oic acid, 3,7,12-trihydroxy-, methyl ester, (3alpha,5beta,7alpha,12alpha)- | methyl (4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethy |
| CAS No. | 1448-36-8 |
| PubChem CID | 10960835 |
Synthetic Route by SureRoute
2. ACDMTX256 Molecular Building Block Synthetic Route
methyl (R)-4-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
methyl (4R)-4-((5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate