Hypocrellin B | CAS No. 123940-54-5

Hypocrellin B

Basic Information

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CAS Number

123940-54-5

Molecular Formula

C30H24O9

Molecular Weight

528.51 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 Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

261-263 ºC

Solubility

Insuluble (8.5E-7 g/L) (25 ºC),

SMILES

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CC1=C(C2=C3C4=C(C1)C(=C(C5=C4C(=C6C3=C(C(=O)C=C6OC)C(=C2OC)O)C(=CC5=O)OC)O)OC)C(=O)C

InChI

InChI=1S/C30H24O9/c1-10-7-13-20-19-12(26(33)28(35)29(13)38-5)8-15(36-3)22-16(37-4)9-14(32)21(24(19)22)25-23(20)17(10)18(11(2)31)30(39-6)27(25)34/h8-9,32,34H,7H2,1-6H3

InChIKey

RMKASJPDEIDZMG-UHFFFAOYSA-N

LogP

4.201900000000003

Topological Polar Surface Area

128.59000000000003 Å²

Hydrogen Bond Donor/Acceptor

2 / 9

Complexity

1200

Synonyms & References

English

SCHEMBL13121633
Hypocrellin C
CS-0016899
hypocrellin b
APTUSGMALOMQQL-UHFFFAOYSA-N
SCHEMBL14302232
1H-Cyclohepta[ghi]perylene-6,11-dione,3-acetyl-5,12-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
13-Acetyl-3,8-dihydroxy-1,5,6,10-tetramethoxy-12-methyl-2H-cyclohepta[ghi]perylene-2,9(11H)-dione
AKOS037514883
CS-0032509
HY-N6081
12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.0(2),(1)(1).0(3),?.0?,(2)(2).0(1)?,(2)(3)]tricosa-1,3,5,8,10,12,15,17,20,22-decaene-7,19-dione
(E)-13-acetyl-3,8-dihydroxy-1,5,6,10-tetramethoxy-12-methyl-2H-cyclohepta[ghi]perylene-2,9(11H)-dione
CHEMBL4793204
149457-83-0
C30H24O9
YEA94054
MFCD00467741
123940-54-5
AKOS040760459
Shiraiachrome C
12-acetyl-9,17-dihydroxy-5,10,16,21-tetramethoxy-13-methylhexacyclo[13.8.0.02,11.03,8.04,22.018,23]tricosa-1(15),2(11),3(8),4(22),5,9,12,16,18(23),20-decaene-7,19-dione
HY-N1453
CHEMBL2029624
FS-7755
CHEBI:198502
1H-Cyclohepta[ghi]perylene-5,12-dione,3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
1H-Cyclohepta(ghi)perylene-5,12-dione, 3-acetyl-6,11-dihydroxy-4,8,9,13-tetramethoxy-2-methyl-
Hypocrellin B
LS-186920
LS-187570

MDL Number

MFCD00467741

FAQ

What are the physical and chemical properties of Hypocrellin B (CAS: 123940-54-5)?

Hypocrellin B (CAS: 123940-54-5) is a crystalline compound with a molecular weight of approximately 600 g/mol. It is sparingly soluble in water but highly soluble in organic solvents such as ethanol and acetone. Hypocrellin B is relatively stable under normal conditions but can react with strong reducing agents. Its excitation and emission spectra make it useful in photodynamic therapy applications.

How is Hypocrellin B (CAS: 123940-54-5) typically synthesized?

Hypocrellin B (CAS: 123940-54-5) is typically synthesized through a multistep process involving the condensation of 3-hydroxyanthraquinone with 1,4-diketones. The reaction is catalyzed by an acid or base, and the product is purified by recrystallization. The yield ranges from 50% to 70%, and the synthetic route is highly selective, producing a pure compound.

In what industries is Hypocrellin B (CAS: 123940-54-5) used?

Hypocrellin B (CAS: 123940-54-5) is primarily used in the pharmaceutical industry for photodynamic therapy applications. It is also utilized in the polymer industry for its photochemical properties, and in the sensor industry for its photoluminescent characteristics. Additionally, it is explored for its potential in semiconductor applications.

What precautions should be taken when handling Hypocrellin B (CAS: 123940-54-5)?

When handling Hypocrellin B (CAS: 123940-54-5), it is essential to wear appropriate personal protective equipment (PPE) such as gloves and goggles. Store it in a cool, dry place away from sources of heat and light. In case of a spill, immediately evacuate the area and follow the manufacturer’s safety data sheet (SDS) for cleanup procedures, ensuring the use of appropriate containment equipment such as a fume hood.