8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one

Basic Information

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CAS Number

76472-87-2

Molecular Formula

C45H44O11

Molecular Weight

760.84 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

Yellow powder

Density

1.371±0.06 g/cm3 (20 ºC 760 Torr),

Solubility

Insuluble (3.5E-6 g/L) (25 ºC),

SMILES

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CC(C)=CCC1=C(O)C=CC(C(=O)[C@H]2[C@@H](CC(C)=C[C@@H]2C2=C(O)C=C(O)C3=C2OC(=C(CC=C(C)C)C3=O)C2=C(O)C=C(O)C=C2)C2=C(O)C=C(O)C=C2)=C1O

InChI

InChI=1S/C45H44O11/c1-21(2)6-10-27-33(48)15-14-29(41(27)53)42(54)38-31(26-12-8-24(46)18-34(26)49)16-23(5)17-32(38)39-36(51)20-37(52)40-43(55)30(11-7-22(3)4)44(56-45(39)40)28-13-9-25(47)19-35(28)50/h6-9,12-15,17-20,31-32,38,46-53H,10-11,16H2,1-5H3/t31-,32-,38-/m0/s1

InChIKey

DKBPTKFKCCNXNH-QXGWMLRCSA-N

LogP

8.838699999999994

Topological Polar Surface Area

209.11999999999995 Å²

Hydrogen Bond Donor/Acceptor

8 / 11

Complexity

1560

Safety Information

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Storage Conditions

-20℃

Synonyms & References

English

kuwanon H
Albanin G
kuwanone H
Alvanin G
NSC 356889
8-[(5R,6S)-6-[2,4-Dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-
Kuwanon H
Albanin G,Moracenin A

MDL Number

MFCD31560836

FAQ

What regulatory guidelines apply to 8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one (CAS: 76472-87-2)?

The compound follows regulatory guidelines such as the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations for Europe, and FDA/EPA requirements for handling and labeling. Safe handling, storage, and disposal must adhere to these guidelines to ensure environmental and occupational safety.

Are there alternatives to 8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one (CAS: 76472-87-2) in synthesis?

There are alternative reagents such as 2,4-dihydroxybenzaldehyde and 2-methyl-2-buten-1-ol that can be used as substitutes in the synthesis of this compound. These alternatives can provide similar functionalities and can be chosen based on cost, availability, and specific chemical requirements.

What is the market or research trend for 8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one (CAS: 76472-87-2)?

The market for this compound shows increasing interest in its use as a potential anti-inflammatory agent and antioxidant. Research trends indicate a focus on its pharmacological properties and applications in pharmaceutical and cosmetic industries. However, further studies are needed to validate its efficacy and safety in various therapeutic settings.

How should waste containing 8-[(1S,5R,6S)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3-methyl-2-buten-1-yl)-4H-chromen-4-one (CAS: 76472-87-2) be handled?

Waste containing this compound should be collected, stored, and disposed of according to EPA guidelines and local regulations. Incineration or professional waste disposal services are recommended to ensure safe and environmentally friendly disposal. Proper precautions must be taken to prevent environmental contamination and ensure worker safety during handling and disposal.