Account (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
- Catalog No.:
- ACFMCH688
- CAS No.:
- 18642-44-9
- Molecular Formula:
- C37H56O11
- Molecular Weight:
- 676.84
![(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 structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (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 |
|---|---|
| IUPAC Name | (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 |
| MDL No. | MFCD00210469 |
| Molecular Formula | C37H56O11 |
| Molecular Weight | 676.84 |
| 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[C@H]3[C@]2(C)C[C@@H]3O[C@]4(C[C@@H](C)[C@@H]3[C@@]12C)O[C@H](O)[C@@]1(C)O[C@@H]41 |
| InChI Key | NEWMWGLPJQHSSQ-PSDKAYTQSA-N |
| Synonym | [(1S,1'R,2S,3'R,4R,4'R,5R,5'R,6'R,10'S,12'S,13'S,16'R,18'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]docosane]-3'- |
| CAS No. | 18642-44-9 |
| PubChem CID | 10032468 |
Synthetic Route by SureRoute
Cimicifugoside
Cimiracemoside D
(2S,3R,4S,5R)-4,5-Dihydroxy-2-(((2aR,3R,4S,5aS,5bS,7S,7aR,9S,11aR,12aS)-4-hydroxy-3-((2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-2a,5a,8,8-tetramethyl-7-(((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetradecahydro-1H,12H-cyclopenta[a]cyclopropa[e]phenanthren-9-yl)oxy)tetrahydro-2H-pyran-3-yl acetate