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Actein , CAS No.18642-44-9
Basic Description
| Synonyms | Actein | 18642-44-9 | UNII-I14QO4LW9V | I14QO4LW9V | 26S-ACTEIN | Shengmating | ACTEIN, (-)- | DTXSID7033153 | CHEBI:70241 | ACTEIN (USP-RS) | ACTEIN [USP-RS] | [(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,3 |
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| Storage Temp | Store at 2-8°C |
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| Shipped In | Wet ice |
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Associated Targets(Human)
Associated Targets(non-human)
Names and Identifiers
| IUPAC Name | [(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'-yl] acetate |
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| INCHI | InChI=1S/C37H56O11/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/h17,19-30,39-42H,8-16H2,1-7H3/t17-,19-,20+,21+,22+,23+,24-,25+,26+,27-,28+,29-,30+,32+,33-,34+,35-,36+,37-/m1/s1 |
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| InChi Key | NEWMWGLPJQHSSQ-PSDKAYTQSA-N |
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| Canonical SMILES | CC1CC2(C3C(O3)(C(O2)O)C)OC4C1C5(C(CC67CC68CCC(C(C8CCC7C5(C4)C)(C)C)OC9C(C(C(CO9)O)O)O)OC(=O)C)C |
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| Isomeric SMILES | C[C@@H]1C[C@@]2([C@H]3[C@](O3)([C@H](O2)O)C)O[C@@H]4[C@H]1[C@]5([C@@H](C[C@@]67C[C@@]68CC[C@@H](C([C@@H]8CC[C@H]7[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 | 10032468 |
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| Molecular Weight | 674.86 |
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Chemical and Physical Properties
| Solubility | Soluble in water (partly miscible). |
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| Refractive Index | n20D1.61 |
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| Melt Point(°C) | 246.1-250° C |
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