dryocrassin | CAS No. 12777-70-7

dryocrassin

Basic Information

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CAS Number

12777-70-7

Molecular Formula

C43H48O16

Molecular Weight

820.8 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Yellow powder

Solubility

Insuluble (4.5E-5 g/L) (25 ºC),

SMILES

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CCCC(=O)C1=C(C(=C(C(=C1O)CC2=C(C(C(=O)C(=C2O)C(=O)C)(C)C)O)O)CC3=C(C(=C(C(=C3O)C(=O)CCC)O)CC4=C(C(C(=O)C(=C4O)C(=O)C)(C)C)O)O)O

InChI

InChI=1S/C43H48O16/c1-9-11-24(46)28-32(50)18(30(48)20(34(28)52)14-22-36(54)26(16(3)44)40(58)42(5,6)38(22)56)13-19-31(49)21(35(53)29(33(19)51)25(47)12-10-2)15-23-37(55)27(17(4)45)41(59)43(7,8)39(23)57/h48-57H,9-15H2,1-8H3

InChIKey

PRVKSKWNDSLRBY-UHFFFAOYSA-N

LogP

6.205800000000009

Topological Polar Surface Area

304.71999999999997 Å²

Hydrogen Bond Donor/Acceptor

10 / 16

Complexity

1760

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Dryocrassin ABBA
DryocrassinABBA
BDBM50521985
Dryocrassin-ABBA
DTXSID30925979
BCP29192
Dryocrassin
MS-31524
CS-0009063
Methylenebisnorflavaspidic acid ABBA
Tetraalbaspidin ABBA
AKOS030573552
FT-0688329
2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one
PD118893
12777-70-7
4,4'-{Methylenebis[(5-butanoyl-2,4,6-trihydroxy-3,1-phenylene)methylene]}bis(2-acetyl-3,5-dihydroxy-6,6-dimethylcyclohexa-2,4-dien-1-one)
CHEMBL4551878
2,5-Cyclohexadien-1-one, 2,2'-(methylenebis((2,4,6-trihydroxy-5-(1-oxobutyl)-3,1-phenylene)methylene)bis(6-acetyl-3,5-dihydroxy-
HY-N0530
2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-3,5-dihydroxy-6,6-dime
3,29-Dibenzoyl rarounitriol
2,5-Cyclohexadien-1-one,2,2'-(methylenebis((2,4,6-trihydroxy-5-(1-oxobutyl)-3,1-phenylene)methylene)bis(6-acetyl-3,5-dihydroxy
tetraalbaspidin-ABBA
Y0072
C43H48O16
N2411
A14678
2,5-Cyclohexadien-1-one, 2,2'-(methylenebis((2,4,6-trihydroxy-5-(1-oxobutyl)-3,1-phenylene)methylene)
2-acetyl-4-[[3-[[3-[(5-acetyl-2,6-dihydroxy-3,3-dimethyl-4-oxocyclohexa-1,5-dien-1-yl)methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]-5-butanoyl-2,4,6-trihydroxyphenyl]methyl]

MDL Number

MFCD20527289

FAQ

What regulatory guidelines apply to dryocrassin (CAS: 12777-70-7)?

Dryocrassin (CAS: 12777-70-7) falls under the regulatory guidelines of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), covering health and environmental hazards. It is also subject to the Registration, Evaluation, Authorization, and Restriction of Chemicals (REACH) regulations in the European Union, which require detailed safety data sheets (SDS) and risk assessment for industrial use. In the United States, the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) may have specific labeling and handling requirements depending on its intended use.

Are there alternatives to dryocrassin (CAS: 12777-70-7) in synthesis?

While dryocrassin (CAS: 12777-70-7) is a specific compound, alternatives in synthesis can include analogs with similar chemical structures or isomers that offer similar properties. Common alternative reagents in organic synthesis include other known natural products or synthetic equivalents that can serve the same functional role. It is essential to consider the availability, cost, and safety profile of these alternatives.

What is the market or research trend for dryocrassin (CAS: 12777-70-7)?

Research trends for dryocrassin (CAS: 12777-70-7) are currently focused on its potential applications in biochemistry and pharmaceuticals. With increasing interest in natural product chemistry, there is a growing focus on understanding the biological activity and therapeutic potential of compounds like dryocrassin. Market trends suggest a demand for related compounds and their derivatives, driven by advancements in drug discovery and personalized medicine.

How should waste containing dryocrassin (CAS: 12777-70-7) be handled?

Waste containing dryocrassin (CAS: 12777-70-7) should be managed according to local regulations. Typically, it should be collected in appropriate containers and disposed of through professional waste disposal services that can handle hazardous chemicals. Incineration may be an option, but it should be conducted in an environmentally controlled incinerator. Environmental protection measures include ensuring no leakage or spillage to avoid contamination of soil and water. Proper training and personal protective equipment (PPE) are essential during handling and disposal.