Account (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
- Catalog No. :
- ACWACD598
- CAS No. :
- 88426-32-8
- Molecular Formula :
- C24H40O10S2
- Molecular Weight :
- 552.71
IUPAC Name:(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
![(R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
|---|---|
| IUPAC Name | (R)-4-((3R,5S,7S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7-bis(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| MDL No. | MFCD00868584 |
| Molecular Formula | C24H40O10S2 |
| Molecular Weight | 552.71 |
| SMILES | C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@@H](OS(=O)(=O)O)C[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C |
| InChI Key | BWXSDJHAJWTEAD-UZVSRGJWSA-N |
| Synonym | Ursulcholic;3α,7β-Di(sulfooxy)-5β-cholan-24-oic acid;Ursodeoxycholate 3,7-disulfate;Ursodeoxycholate-3,7-disulfate;Cholan-24-oic acid, 3,7-bis(sulfooxy)-, (3α,5β,7β)-;(4R)-4-((3S,5S,7R,8R,9S,10R,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-1-((6aR,6bR,8aR,11R,12S,12aS,12bR,14bS)-4,4,6a,6b,8a,11,12,14b-octamethyldocosahydropicen-3-yl)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid |
| CAS No. | 88426-32-8 |
Synthetic Route by SureRoute
2. ACWACD598 Molecular Building Block Synthetic Route
sodium (4R)-4-((3R,5S,7S,10S,13R,17R)-10,13-dimethyl-3,7-bis(sulfonatooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
(R)-4-((3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,12-dihydroxy-10,13-dimethyl-7-(sulfooxy)hexadecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoic acid
sodium (3R,5R,7R,8R,9S,10S,13R,14S,17R)-17-((R)-6-fluoro-5-oxohexan-2-yl)-7-hydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl sulfate