Account 3-(4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one
- Catalog No. :
- ACKCAK379
- CAS No. :
- 161207-05-2
- Molecular Formula :
- C35H52O9
- Molecular Weight :
- 616.79
IUPAC Name:3-(4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one
![3-(4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | 3-(4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one |
|---|---|
| IUPAC Name | 3-(4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-((3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one |
| Molecular Formula | C35H52O9 |
| Molecular Weight | 616.79 |
| SMILES | CC(CC(=O)C1OC1(C)C)C1C(=O)CC2(C)C3=CCC4C(C)(C)C(OC5OCC(O)C(O)C5O)CCC45CC35C(O)CC12C |
| InChI Key | PYBFXJMIKJNNAJ-UHFFFAOYSA-N |
| Synonym | CIMICIDANOL 3-ARABINOSIDE;CiMicidanol-3-O-α-L-arabinoside;CIMICIDANOL-3-O-a-L-ARABINOSIDE(P);Cimicidanol-3-O-alpha-L-arabinoside;Cimicidanol-3-O-α-L-arabinoside, 98%, from Cimicifuga foetida L.;Cimigenol-3-O-α-L-arabinoside;Cimicidanol 3- O-α-L -arabinoside;Cimicidanol3-O-α-L-arabinoside reference substance |
| CAS No. | 161207-05-2 |
Synthetic Route by SureRoute
2. ACKCAK379 Molecular Building Block Synthetic Route
(1S,2aR,3R,5aR,7aR,9S,11aR,12aS)-3-((R)-4-((R)-3,3-Dimethyloxiran-2-yl)-4-oxobutan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]phenanthren-4-one
(1S,2AR,3R,5aR,7aR,9S,11aR,12aS)-3-((2R,5R)-5,6-dihydroxy-6-methyl-4-oxoheptan-2-yl)-1-hydroxy-2a,5a,8,8-tetramethyl-9-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-1,2,2a,3,5,5a,7,7a,8,9,10,11-dodecahydro-4H,12H-cyclopenta[a]cyclopropa[e]
(3S,8S,9R,10R,13R,14S,17R)-17-((2R,5R)-5,6-dihydroxy-6-methylheptan-2-yl)-4,4,9,13,14-pentamethyl-3-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-1,2,3,4,7,8,9,10,12,13,14,15,16,17-tetradecahydro-11H-cyclopenta[a]phenanthren-11-one