Account (3S,4S,5R)-4-((2R,3R)-2,3-Dihydroxy-3-((2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one
- Catalog No. :
- ACGAYI826
- CAS No. :
- 17086-76-9
- Molecular Formula :
- C29H44O9
- Molecular Weight :
- 536.66
IUPAC Name:(3S,4S,5R)-4-((2R,3R)-2,3-dihydroxy-3-((2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one
![(3S,4S,5R)-4-((2R,3R)-2,3-Dihydroxy-3-((2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3S,4S,5R)-4-((2R,3R)-2,3-Dihydroxy-3-((2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one |
|---|---|
| IUPAC Name | (3S,4S,5R)-4-((2R,3R)-2,3-dihydroxy-3-((2S,3R,5R,9R,10R,13R,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)butyl)-5-hydroxy-3-methyltetrahydro-2H-pyran-2-one |
| MDL No. | MFCD01683622 |
| Molecular Formula | C29H44O9 |
| Molecular Weight | 536.66 |
| SMILES | O=C1[C@@H](C)[C@H](C[C@@H](O)[C@@]([C@H]2CCC3(O)C4=CC([C@]5([H])C[C@@H](O)[C@@H](O)C[C@]5(C)[C@@]4([H])CC[C@]23C)=O)(O)C)[C@@H](O)CO1 |
| InChI Key | BZWMGJMVOQFRLR-RXYAIQCUSA-N |
| Synonym | 5-beta-Stigmast-7-en-26-oic acid, 2-beta,3-beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | 5beta-Stigmast-7-en-26-oic acid, 2beta,3beta,14,20,22,28-hexahydroxy-6-oxo-, gamma-lactone, (22R,24S,25S,28R)- | HY-N0211 | CHEBI:29012 | ( |
| CAS No. | 17086-76-9 |
| PubChem CID | 119444 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACGAYI826 Molecular Building Block Synthetic Route
(3S,4S,6R)-6-((R)-1-hydroxy-1-((2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-6-oxo-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethyl)-4-((R)-1-hydroxyethyl)-3-methyltetrahydro-2H-pyran-2-one
(2S,3R,5R,9R,10R,13R,14S,17S)-3,14-dihydroxy-10,13-dimethyl-6-oxo-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-2-yl acetate
(2S,3R,5R,9R,10R,13R,14S,17S)-2,14-dihydroxy-10,13-dimethyl-6-oxo-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate