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Cimicifugoside - Analytical reference, high purity , CAS No.66176-93-0
Basic Description
| Synonyms | 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 |
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| Specifications & Purity | Analytical reference |
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| Storage Temp | Store at 2-8°C |
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| Shipped In | Wet ice |
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| Grade | analytical reference |
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Names and Identifiers
| IUPAC Name | [(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'-yl] acetate |
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| INCHI | InChI=1S/C37H54O11/c1-17-12-37(29-34(7,47-29)30(42)48-37)46-20-13-32(5)22-9-8-21-31(3,4)23(45-28-27(41)26(40)19(39)15-43-28)10-11-35(21)16-36(22,35)14-24(44-18(2)38)33(32,6)25(17)20/h9,17,19-21,23-30,39-42H,8,10-16H2,1-7H3/t17-,19-,20+,21?,23?,24+,25+,26+,27-,28+,29?,30?,32+,33-,34?,35-,36?,37?/m1/s1 |
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| InChi Key | XUJMHSCMPCZWOV-NVJMOZEJSA-N |
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| Canonical SMILES | CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CC=C7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C |
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| Isomeric SMILES | C[C@@H]1CC2(C3C(O3)(C(O2)O)C)O[C@@H]4[C@H]1[C@]5([C@H](CC67C[C@@]68CCC(C(C8CC=C7[C@@]5(C4)C)(C)C)O[C@H]9[C@@H]([C@H]([C@@H](CO9)O)O)O)OC(=O)C)C |
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| PubChem CID | 128327 |
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| Molecular Weight | 674.82 |
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