The chemical compound "2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one" is a complex organic molecule with a molecular formula of C22H26O9. It features a cyclohexadienone core with multiple hydroxyl, methoxy, and oxobutyl functional groups. The compound has a unique structure that includes a 2,5-cyclohexadien-1-one ring, which is substituted with a 3-(1-oxobutyl)phenyl group at the 2-position and a 1-oxobutyl group at the 6-position. The molecule also contains two hydroxyl groups at the 3 and 5 positions, and a methyl group at the 4 position. This complex structure is characteristic of certain natural products and may have potential applications in the fields of pharmaceuticals or materials science, although specific uses are not detailed here.
989-54-8
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Basic information
- Product Name: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
- Synonyms: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one;3'-[(5-Butyryl-2,4-dihydroxy-3,3-dimethyl-6-oxo-1,4-cyclohexadien-1-yl)methyl]-2',6'-dihydroxy-4'-methoxy-5'-methylbutyrophenone;Paraaspidin;para-Aspidin BB;p-Aspidin
- CAS NO:989-54-8
- Molecular Formula: C25H32O8
- Molecular Weight: 460.5168
- EINECS: N/A
- Product Categories: N/A
- Mol File: 989-54-8.mol
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Chemical Properties
- Melting Point: N/A
- Boiling Point: 633.3°Cat760mmHg
- Flash Point: 209.5°C
- Appearance: /
- Density: 1.285g/cm3
- Vapor Pressure: 6.59E-17mmHg at 25°C
- Refractive Index: 1.594
- Storage Temp.: N/A
- Solubility: N/A
- CAS DataBase Reference: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one(CAS DataBase Reference)
- NIST Chemistry Reference: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one(989-54-8)
- EPA Substance Registry System: 2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one(989-54-8)
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Safety Data
- Hazard Codes: N/A
- Statements: N/A
- Safety Statements: N/A
- WGK Germany:
- RTECS:
- HazardClass: N/A
- PackingGroup: N/A
- Hazardous Substances Data: 989-54-8(Hazardous Substances Data)
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989-54-8 Usage
Type
Chemical compoundDerivative of
2,5-cyclohexadien-1-oneStructure
Aromatic ketone with multiple hydroxyl and methoxy groups, as well as a butyl groupCharacteristics
Large and complex structurePotential uses
Pharmaceuticals, organic chemistry, other chemical applicationsCheck Digit Verification of cas no
The CAS Registry Mumber 989-54-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 9,8 and 9 respectively; the second part has 2 digits, 5 and 4 respectively.Calculate Digit Verification of CAS Registry Number 989-54:
(5*9)+(4*8)+(3*9)+(2*5)+(1*4)=118
118 % 10 = 8
So 989-54-8 is a valid CAS Registry Number.
InChI:InChI=1/C25H32O8/c1-7-9-15(26)17-19(28)12(3)22(33-6)13(20(17)29)11-14-21(30)18(16(27)10-8-2)24(32)25(4,5)23(14)31/h28-31H,7-11H2,1-6H3
989-54-8Upstream product
989-54-8Downstream Products
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2-[[2,4-Dihydroxy-6-methoxy-5-methyl-3-(1-oxobutyl)phenyl]methyl]-3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-2,5-cyclohexadien-1-one
