Account (3R,5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-3,3-dimethyloxiran-2-yl)-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
- Catalog No. :
- ACIKAY174
- CAS No. :
- 1351617-73-6
- Molecular Formula :
- C32H52O5
- Molecular Weight :
- 516.76
IUPAC Name:(3R,5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-3,3-dimethyloxiran-2-yl)-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol
![(3R,5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-3,3-dimethyloxiran-2-yl)-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-3,3-dimethyloxiran-2-yl)-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
|---|---|
| IUPAC Name | (3R,5R,9R,10R,13S,14S,17S)-17-((2R,3S,5R)-5-((S)-3,3-dimethyloxiran-2-yl)-2,5-dimethoxytetrahydrofuran-3-yl)-4,4,10,13,14-pentamethyl-2,3,4,5,6,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-ol |
| MDL No. | MFCD32645079 |
| Molecular Formula | C32H52O5 |
| Molecular Weight | 516.76 |
| SMILES | CO[C@@H]1O[C@@](OC)([C@H]2OC2(C)C)C[C@H]1[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C |
| InChI Key | LUGXHMKUSQNWEN-RYZUBBMNSA-N |
| Synonym | Amooracetal;Lanost-7-en-21-al, 24,25-epoxy-3,23-dihydroxy-23-methoxy-, cyclic 21,23-(methyl acetal), (3α,13α,14β,17α,20S,21R,23R,24S)- |
| CAS No. | 1351617-73-6 |
Synthetic Route by SureRoute
2. ACIKAY174 Molecular Building Block Synthetic Route
Cimicifugoside
(2R,3S,4S,5S,6R)-2-(((2S,3S,4R,5R,6S)-4,5-dihydroxy-2-(((4R,5'S,6aS,6bR,8aS,8bS,9R,10S,11aR,12aS,12bS)-12a-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol
(2S,3R,4R,5R,6S)-2-(((2R,3R,4S,5S,6R)-4-Hydroxy-2-(((4S,5'R,6aR,6bS,8aR,8bR,9S,10R,11aS,12aR,12bR)-12a-hydroxy-5',6a,8a,9-tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)-6-(hydroxymethyl)-5-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-3-yl)oxy)-6-methyltetrahydro-2H-pyran-3,4,5-triol