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grosheimin , CAS No.22489-66-3, Agonist of TAS2R43;Agonist of TAS2R46
Basic Description
Synonyms | Grosheimin|Grosshemin|Grossheimin|22489-66-3|UNII-ML3SLU81RH|ML3SLU81RH|NSC 295425|CHEBI:5547|NSC-295425|4-beta-H-Guaia-10(14),11(13)-dien-12-oic acid, 6-alpha,8-alpha-dihydroxy-3-oxo-, 12,6-lactone|AZULENO(4,5-B)FURAN-2,8(3H,4H)-DIONE, OCTAHYDRO-4-HYDROX |
Specifications & Purity | Moligand™ |
Grade | Moligand™ |
Action Type | AGONIST |
Mechanism of action | Agonist of TAS2R43;Agonist of TAS2R46 |
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Names and Identifiers
IUPAC Name | (3aR,4S,6aR,9S,9aR,9bR)-4-hydroxy-9-methyl-3,6-dimethylidene-3a,4,5,6a,7,9,9a,9b-octahydroazuleno[4,5-b]furan-2,8-dione |
INCHI | InChI=1S/C15H18O4/c1-6-4-11(17)13-8(3)15(18)19-14(13)12-7(2)10(16)5-9(6)12/h7,9,11-14,17H,1,3-5H2,2H3/t7-,9+,11+,12+,13-,14-/m1/s1 |
InChi Key | YGMIBVIKXJJQQJ-MSOSQAFRSA-N |
Canonical SMILES | C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O |
Isomeric SMILES | C[C@H]1[C@H]2[C@@H](CC1=O)C(=C)C[C@@H]([C@@H]3[C@@H]2OC(=O)C3=C)O |
PubChem CID | 442256 |
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