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| Formula | C33H38FNO9 |
| Net Charge | 0 |
| Average Mass | 611.663 |
| Monoisotopic Mass | 611.25306 |
| SMILES | [H][C@@]12C[C@H](O)[C@@]3(C)Oc4cc(-c5cncc(F)c5)oc(=O)c4[C@H](O)[C@]3([H])[C@@]1(C)CC[C@H](OC(=O)C1CC1)[C@@]2(C)COC(=O)C1CC1 |
| InChI | InChI=1S/C33H38FNO9/c1-31-9-8-24(43-29(39)17-6-7-17)32(2,15-41-28(38)16-4-5-16)22(31)12-23(36)33(3)27(31)26(37)25-21(44-33)11-20(42-30(25)40)18-10-19(34)14-35-13-18/h10-11,13-14,16-17,22-24,26-27,36-37H,4-9,12,15H2,1-3H3/t22-,23+,24+,26+,27-,31+,32+,33-/m1/s1 |
| InChIKey | PBHDEJNKJGMQKZ-HRSIRGMGSA-N |
| Roles Classification |
|---|
| Application: | insecticide Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| flupyropen (CHEBI:760679) has role insecticide (CHEBI:24852) |
| flupyropen (CHEBI:760679) is a cyclopropanecarboxylate ester (CHEBI:50351) |
| flupyropen (CHEBI:760679) is a organic heterotetracyclic compound (CHEBI:38163) |
| flupyropen (CHEBI:760679) is a organofluorine compound (CHEBI:37143) |
| flupyropen (CHEBI:760679) is a pyridines (CHEBI:26421) |
| flupyropen (CHEBI:760679) is a secondary alcohol (CHEBI:35681) |
| flupyropen (CHEBI:760679) is a unclassifieds (CHEBI:27189) |
| IUPAC Name |
|---|
| [(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropanecarbonyl)oxy]-9-(5-fluoropyridin-3-yl)-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-4-yl]methyl cyclopropanecarboxylate |
| Synonyms | Source |
|---|---|
| {(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropanecarbonyl)oxy]-9-(5-fluoropyridin-3-yl)-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b][1]benzopyran-4-yl}methyl cyclopropanecarboxylate | Alan Wood's Pesticides |
| [(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropylcarbonyl)oxy]-9-(5-fluoro-3-pyridinyl)-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-2H,11H-naphtho[2,1-b]pyrano[3,4-e]pyran-4-yl]methyl cyclopropanecarboxylate | Alan Wood's Pesticides |
| {(3S,4R,4aR,6S,6aS,12R,12aS,12bS)-3-[(cyclopropylcarbonyl)oxy]-9-(5-fluoro-3-pyridyl)-6,12-dihydroxy-4,6a,12b-trimethyl-11-oxo-1,3,4,4a,5,6,6a,12,12a,12b-decahydro-2H,11H-benzo[f]pyrano[4,3-b]chromen-4-yl}methyl cyclopropanecarboxylate | Alan Wood's Pesticides |
| Manual Xrefs | Databases |
|---|---|
| flupyropen | Alan Wood's Pesticides |
| Registry Numbers | Sources |
|---|---|
| CAS:3078478-16-4 | Alan Wood's Pesticides |