[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate
Modify Date: 2025-09-29 16:37:37
![[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate Structure](https://www.chemsrc.com/extcaspic/056/116258-23-2.png)
[(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate structure
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Common Name | [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate | ||
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| CAS Number | 116258-23-2 | Molecular Weight | 358.4 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C20H22O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate |
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This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C20H22O6 |
|---|---|
| Molecular Weight | 358.4 |
| InChIKey | SNZRAKOFDSGBRF-WYYIAQBKSA-N |
| SMILES | C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(OC(=O)C3(C)OC3C)C12 |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263519
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Name: Inhibition of recombinant oligo-histidine-tagged Leishmania major DHODH expressed in ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263518
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263524
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Name: Inhibition of NF-kappaB DNA binding by EMSA
Source: ChEMBL
Target: Transcription factor p65
External Id: CHEMBL861583
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Name: Concentration required for complete inhibition of Nuclear factor kappa B DNA binding
Source: ChEMBL
Target: Nuclear factor NF-kappa-B p100 subunit
External Id: CHEMBL835063
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263521
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Name: Concentration required for complete inhibition of Nuclear factor kappa B DNA binding
Source: ChEMBL
Target: Nuclear factor NF-kappa-B p100 subunit
External Id: CHEMBL828644
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263520
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263523
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Name: Binding affinity to Leishmania major DHODH assessed as change in melting temperature ...
Source: ChEMBL
Target: Dihydroorotate dehydrogenase (fumarate)
External Id: CHEMBL4263522
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the InChIKey of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: InChIKey of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is SNZRAKOFDSGBRF-WYYIAQBKSA-N. |
| Q: What is the SMILES notation of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: SMILES notation of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is C=C1C(=O)OC2C3C(C)=CC(=O)C3=C(C)CC(OC(=O)C3(C)OC3C)C12. |
| Q: What is the molecular formula of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: Molecular formula of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is C20H22O6. |
| Q: What is the English name of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: The English name of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate. |
| Q: What is the Chinese name of 116258-23-2? |
| A: Chinese name of 116258-23-2 is 116258-23-2. |
| Q: What is the molecular weight of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: Molecular weight of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is 358.4. |
| Q: What is the CAS number of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate? |
| A: CAS number of [(3aR,4R,9aS,9bR)-6,9-dimethyl-3-methylidene-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (2R,3R)-2,3-dimethyloxirane-2-carboxylate is 116258-23-2. |