Account Cimicifugoside
- Catalog No. :
- ACTOOV484
- CAS No. :
- 66176-93-0
- Molecular Formula :
- C37H54O11
- Molecular Weight :
- 674.83
IUPAC Name:(2a'R,4'S,6a'R,7a'S,9'R,9a'R,9b'R,10'R,13a'S,14a'S)-4-hydroxy-3',3',5,9a',10',14a'-hexamethyl-4'-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2',2a',3',5',6',8',9',9a',9b',10',11',13a',14',14a'-tetradecahydro-4'H,7'H-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,12'-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran]-9'-yl acetate
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Product Information
| Product Name | Cimicifugoside |
|---|---|
| IUPAC Name | (2a'R,4'S,6a'R,7a'S,9'R,9a'R,9b'R,10'R,13a'S,14a'S)-4-hydroxy-3',3',5,9a',10',14a'-hexamethyl-4'-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)-2',2a',3',5',6',8',9',9a',9b',10',11',13a',14',14a'-tetradecahydro-4'H,7'H-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,12'-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran]-9'-yl acetate |
| MDL No. | MFCD01075142 |
| Molecular Formula | C37H54O11 |
| Molecular Weight | 674.83 |
| SMILES | CC(=O)O[C@@H]1C[C@@]23C[C@@]24CC[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)C(C)(C)[C@@H]4CC=C3[C@]2(C)C[C@@H]3OC4(C[C@@H](C)[C@@H]3[C@@]12C)OC(O)C1(C)OC41 |
| InChI Key | XUJMHSCMPCZWOV-UJAIUVFWSA-N |
| Synonym | Cimicifugoside | 66176-93-0 | [(3'S,4'R,5'R,6'R,10'S,12'S,21'R)-2-Hydroxy-1,4',6',12',17',17'-hexamethyl-18'-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docos-13-ene]-3'-y |
| CAS No. | 66176-93-0 |
| PubChem CID | 128327 |
Synthetic Route by SureRoute
2. ACTOOV484 Molecular Building Block Synthetic Route
(1R,2R,2a'R,4S,4'S,5S,6a'R,7a'R,9'R,9a'R,9b'R,10'R,13a'S,14a'S,14b'S)-4-hydroxy-3',3',5,9a',10',14a'-hexamethyl-4'-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)oxy)hexadecahydro-1'H,7'H-3,6-dioxaspiro[bicyclo[3.1.0]hexane-2,12'-cyclopropa[1',8a']naphtho[2',1':4,5]indeno[2,1-b]pyran]-9'-yl acetate
(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
(2α,3β,8α,13α,14β,17α,18β,19β,20β)-2-(Acetyloxy)-19,20-dihydroxy-13,17-dimethyl-A′-neo-26,28-dinorgammacer-9(11)-en-3-yl β-D-glucopyranoside