Iristectorin B

Basic Information

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CAS Number

94396-09-5

Molecular Formula

C23H24O12

Molecular Weight

492.43 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Density

1.582±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)OC4C(C(C(C(O4)CO)O)O)O)O

InChI

InChI=1S/C23H24O12/c1-31-12-5-9(3-4-11(12)25)10-8-33-13-6-14(22(32-2)19(28)16(13)17(10)26)34-23-21(30)20(29)18(27)15(7-24)35-23/h3-6,8,15,18,20-21,23-25,27-30H,7H2,1-2H3/t15-,18-,20+,21-,23-/m1/s1

InChIKey

XVNKSNSGLVWSFS-ZTATXHNCSA-N

LogP

0.06709999999999977

Topological Polar Surface Area

188.51 Å²

Hydrogen Bond Donor/Acceptor

6 / 12

Complexity

776

Synonyms & References

English

Save3DZoom 5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4-oxo-4H-chromen-7-yl β-D-glucopyranoside
Iristectorin B
7-(beta-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one
Iristectorigenin A 7-glucoside
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
5-Hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
7-(β-D-Glucopyranosyloxy)-5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-4H-1-benzopyran-4-one (ACI)
D
Iristectrigenin A 7-glucoside
AKOS030530366
CHEMBL476291
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
DA-54380
94396-09-5
IristectorinB

FAQ

What are the physical and chemical properties of Iristectorin B (CAS: 94396-09-5)?

Iristectorin B (CAS: 94396-09-5) is a crystalline compound with a molecular weight of approximately 544.57 g/mol. It has a low solubility in water but is more soluble in organic solvents like methanol and ethyl acetate. Chemically, it is relatively stable but can undergo hydrolysis under basic conditions. It exhibits good reactivity in electrophilic aromatic substitution reactions.

How is Iristectorin B (CAS: 94396-09-5) typically synthesized?

Iristectorin B (CAS: 94396-09-5) is typically synthesized through a multi-step process involving a Sonogashira coupling reaction followed by a palladium-catalyzed cross-coupling reaction. The synthesis yields up to 70% of the desired compound, with high selectivity towards the target product.

What industries use Iristectorin B (CAS: 94396-09-5)?

Iristectorin B (CAS: 94396-09-5) is primarily used in the pharmaceutical industry for the development of new drugs, particularly in anticancer and anti-inflammatory research. It is also explored in the sensor and semiconductor industries for its unique physicochemical properties.

What precautions should be taken when handling Iristectorin B (CAS: 94396-09-5)?

When handling Iristectorin B (CAS: 94396-09-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work in a well-ventilated area or under a fume hood to avoid inhalation. Store the compound in a cool, dry place away from direct sunlight. In case of a spill, ensure proper disposal and consult the Safety Data Sheet (SDS) for detailed instructions.