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123562-49-2

(1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid is a complex organic compound characterized by its tetrahydro-pyrano-pyran structure. It features a glucopyranosyloxy group and a carboxylic acid group, along with a dihydroxyphenyl and a propenyl group. This intricate molecular arrangement suggests that it may be a natural product derived from plants and could possess biological activity. (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid's potential medicinal or pharmaceutical applications are currently speculative and require further research to elucidate its properties and uses.

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  • (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid

    Cas No: 123562-49-2

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  • 123562-49-2 Structure

  • Basic information

    1. Product Name: (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid
    2. Synonyms: (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid;Ibotalactone B
    3. CAS NO:123562-49-2
    4. Molecular Formula: C25H28O14
    5. Molecular Weight: 552.48142
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 123562-49-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 885.1°Cat760mmHg
    3. Flash Point: 298.1°C
    4. Appearance: /
    5. Density: 1.62g/cm3
    6. Vapor Pressure: 1.38E-33mmHg at 25°C
    7. Refractive Index: 1.667
    8. Storage Temp.: N/A
    9. Solubility: N/A
    10. CAS DataBase Reference: (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid(123562-49-2)
    12. EPA Substance Registry System: (1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid(123562-49-2)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 123562-49-2(Hazardous Substances Data)

123562-49-2 Usage

Uses

Used in Pharmaceutical Industry:
(1R)-8β-[6-O-[(E)-3-(3,4-Dihydroxyphenyl)-1-oxo-2-propenyl]-β-D-glucopyranosyloxy]-4,4aβ,8,8aβ-tetrahydro-1β-methyl-3-oxo-1H,3H-pyrano[3,4-c]pyran-5-carboxylic acid is used as a potential pharmaceutical agent for its possible biological activity. Given its complex structure and the presence of functional groups that may interact with biological systems, it could be further explored for medicinal applications, such as the development of new drugs or therapies.
Used in Research and Development:
In the field of organic chemistry and natural product research, this compound serves as a subject of study for understanding its synthesis, structure, and potential interactions with biological targets. It may also be used as a starting point for the development of new chemical entities with specific therapeutic effects.

Check Digit Verification of cas no

The CAS Registry Mumber 123562-49-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,2,3,5,6 and 2 respectively; the second part has 2 digits, 4 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 123562-49:
(8*1)+(7*2)+(6*3)+(5*5)+(4*6)+(3*2)+(2*4)+(1*9)=112
112 % 10 = 2
So 123562-49-2 is a valid CAS Registry Number.
InChI:InChI=1/C25H28O14/c1-10-19-12(7-18(29)37-10)13(23(33)34)8-36-24(19)39-25-22(32)21(31)20(30)16(38-25)9-35-17(28)5-3-11-2-4-14(26)15(27)6-11/h2-6,8,10,12,16,19-22,24-27,30-32H,7,9H2,1H3,(H,33,34)/b5-3+/t10-,12-,16-,19-,20-,21+,22-,24+,25+/m1/s1

123562-49-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 13, 2017

Revision Date: Aug 13, 2017

1.Identification

1.1 GHS Product identifier

Product name (1R,4aS,8S,8aS)-8-[(2S,3R,4S,5S,6R)-6-[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl]oxy-1-methyl-3-oxo-4,4a,8,8a-tetrahydro-1H-pyrano[3,4-c]pyran-5-carboxylic acid

1.2 Other means of identification

Product number -
Other names Ibotalactone B

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:123562-49-2 SDS

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