Account (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]
- Catalog No. :
- ACFKPI177
- CAS No. :
- 161097-77-4
- Molecular Formula :
- C35H54O10
- Molecular Weight :
- 634.81
IUPAC Name:(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]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] structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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] |
|---|---|
| IUPAC Name | (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]phenanthren-4-one |
| Molecular Formula | C35H54O10 |
| Molecular Weight | 634.81 |
| SMILES | O[C@H]1C[C@]2(C)[C@](C(C[C@@]2(C)C3=CC[C@]4(C(C)(C)[C@@H](O[C@@H]5OC[C@@H](O)[C@H](O)[C@H]5O)CC[C@@]46C[C@]631)[H])=O)([C@@H](CC([C@@H](C(C)(C)O)O)=O)C)[H] |
| InChI Key | SUNYLGIAMKNXMN-GLWILYKISA-N |
| Synonym | CIMICIFUGOSIDE H-2;CIMICIFUGOSIDE H-2(AS);9,19-Cyclolanost-7-ene-16,23-dione, 11,24,25-trihydroxy-3-(β-D-xylopyranosyloxy)-, (3β,11β,24R)-;CIMICIFUGOSIDE H-2 USP/EP/BP |
| CAS No. | 161097-77-4 |
Synthetic Route by SureRoute
2. ACFKPI177 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
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
(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