[(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside

Basic Information

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CAS Number

80681-45-4

Molecular Formula

C22H28O11

Molecular Weight

468.46 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

Physical State

Powder

Melting Point

120°C

Solubility

Methanol,DMSO,Acetontrile,Water,Ethanol

SMILES

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CC(C)(C1CC2=C(O1)C=C3C(=C2OC)C(=O)C=C(O3)COC4C(C(C(C(O4)CO)O)O)O)O

InChI

InChI=1S/C22H28O11/c1-22(2,28)15-5-10-12(32-15)6-13-16(20(10)29-3)11(24)4-9(31-13)8-30-21-19(27)18(26)17(25)14(7-23)33-21/h4,6,14-15,17-19,21,23,25-28H,5,7-8H2,1-3H3/t14-,15+,17-,18+,19-,21-/m1/s1

InChIKey

XIUVHOSBSDYXRG-UVTAEQIVSA-N

LogP

-0.8074999999999997

Topological Polar Surface Area

168.28 Å²

Hydrogen Bond Donor/Acceptor

5 / 11

Complexity

755

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Storage Conditions

-20℃

Synonyms & References

English

ZB1876
(S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2H-furo[3,2-g]chromen-5(3H)-one
prim-O-glucosyl cimifugin
5H-Furo[3,2-g][1]benzopyran-5-one,7-[(b-D-glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-, (S)-
CHEBI:187279
Q-100837
CIMIFUGINBETA-D-GLUCOPYRANOSIDE
NZ97LQV2BL
Cimicifuga glycoside
(2S)-7-[(beta-D-Glucopyranosyloxy)methyl]-2,3-dihydro-2-(1-hydroxy-1-methylethyl)-4-methoxy-5H-furo[3,2-g][1]benzopyran-5-one
HMS2196A10
DTXSID90554764
G0535
Cimifugin beta-D-glucopyranoside
AKOS037514796
SMR001397054
(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrouro[3,2-g]chromen-5-one
MFCD09037394
HY-N0635
Prim-O-glucosylcimifugin
CHEMBL1734606
prim-O-b-D-Glucosylcimifugin
CCG-269432
Cimifugin 7-glucoside
MLS002472946
[(2S)-2-(2-Hydroxypropan-2-yl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g][1]benzopyran-7-yl]methyl beta-D-glucopyranoside
(2S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-2,3-dihydrofuro[3,2-g]chromen-5-one
(S)-2-(2-hydroxypropan-2-yl)-4-methoxy-7-((((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)methyl)-2,3-dihydro-5H-furo[3,2-g]chromen-5-one
CS-3795
80681-45-4
AS-76831

MDL Number

MFCD09037394

Customs Code

29389090

FAQ

What is [(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4)?

[(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) is a complex organic compound classified as a glycoside. It contains a beta-D-glucopyranoside sugar moiety linked to a chromanone-furan ring system with hydroxyl and methoxy functional groups. This compound is known for its potential biological activity and is often studied in pharmaceutical research due to its structural complexity and possible therapeutic properties.

What are the main uses of [(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4)?

[(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) is primarily used in pharmaceutical research as a potential precursor for drug development. Its structure suggests applications in anti-inflammatory, antioxidant, or anti-cancer therapies. It may also be utilized in biochemical studies to investigate interactions with enzymes or cellular pathways. Industrial and food applications are less documented, but its derivatives could be explored for functional food ingredients or pharmaceutical formulations.

Is [(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) safe?

[(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) is generally considered safe when handled properly in laboratory or industrial settings. However, as a chemical compound, it may require caution due to potential skin or respiratory irritation. Safety protocols include wearing protective gloves, goggles, and ensuring adequate ventilation. Always follow established safety standards and guidelines for handling organic chemicals.

How should [(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) be stored?

[(2S)-2-(2-Hydroxy-2-propanyl)-4-methoxy-5-oxo-2,3-dihydro-5H-furo[3,2-g]chromen-7-yl]methyl beta-D-glucopyranoside (CAS: 80681-45-4) should be stored in a cool, dry place away from light. Keep in a sealed, airtight container to prevent moisture absorption and degradation. Avoid exposure to high humidity or extreme temperatures to maintain stability. Storage conditions should also ensure compatibility with other chemicals to prevent contamination or reaction.